Sulfathiazole

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Sulfathiazole are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the Sulfathiazole?

The molecule Sulfathiazole presents a molecular formula of C9H9N3O2S2 and its IUPAC name is 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Sulfathiazole is an organic compound with the formula (RS)-(5-mercapto-1,3,4-thiadiazol-2-yl)sulfanilamide. It is a white solid that is sparingly soluble in water. It is used as a bacteriostatic agent..

3D structure

Cartesian coordinates

Geometry of Sulfathiazole in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

Sulfathiazole JNMRHUJNCSQMMB-UHFFFAOYSA-N chemical compound 2D structure molecule svg
Sulfathiazole

 

Molecule descriptors

 
IUPAC name4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide
InChI codeInChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
InChI KeyJNMRHUJNCSQMMB-UHFFFAOYSA-N
SMILESNc1ccc(S(=O)(=O)Nc2nccs2)cc1

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

  • 2-(4-Aminobenzenesulfonamido)thiazole
  • 2-(Sulfanilylamino)thiazole
  • 2-Sulfanilamidothiazol
  • 2-Sulfanilamidothiazole
  • 2-Sulfathiazole
  • 2-Sulfonamidothiazole
  • 2090 R.P.
  • 2090 rp
  • 4-Amino-N-(1,3-Thiazol-2-Yl)Benzene-1-Sulfonamide
  • 4-Amino-N-(1,3-thiazol-2-yl)benzenesulfonamide
  • 4-Amino-N-(1,3-thiazol-2-yl)benzenesulfonamide #
  • 4-Amino-N-(2-thiazolyl)benzenesulfonamide
  • 4-Amino-N-(thiazol-2-yl)benzenesulfonamide
  • 4-Amino-N-2-thiazolylbenzenesulfonamide
  • 4-Amino-N-thiazol-2-yl-benzenesulfonamide
  • 4-[(1,3-Thiazol-2-yl)aminosulfonyl]aniline
  • 4-amino-N-(thiazol-2-yl)-benzenesulfonamide
  • 4-amino-N-1,3-thiazol-2-ylbenzenesulfonamide
  • 72-14-0
  • AB00052102
  • AB00052102_14
  • AB00052102_15
  • AC-12783
  • AI3-01050
  • AMY33440
  • Azoquimiol
  • Azoseptale
  • BB 0245015
  • BDBM50027796
  • BPBio1_000057
  • BSPBio_000051
  • BSPBio_003378
  • Benzenesulfonamide, 4-amino-N-2-thiazolyl-
  • CCG-40296
  • CCRIS 765
  • Cambridge id 5251400
  • Caswell No. 809B
  • Cerazol
  • Cerazol (suspension)
  • Cerazole
  • Ciba 3714
  • Cibazol
  • Coco-Thiazole
  • Chemosept
  • D01047
  • D70411
  • DB-055610
  • DB06147
  • DS-17245
  • DSSTox_CID_6068
  • DSSTox_GSID_26068
  • DSSTox_RID_78004
  • DivK1c_000560
  • Duatok
  • Dulana
  • EPA Pesticide Chemical Code 077903
  • Eleudron
  • Enterobiocine
  • Epitope ID:122234
  • Estafilol
  • F1443-4816
  • FT-0631310
  • Formosulfathiazole
  • GYNE-SULF COMPONENT SULFATHIAZOLE
  • HMS1568C13
  • HMS1921C07
  • HMS2092K09
  • HMS2095C13
  • HMS2259A13
  • HMS3652A03
  • HMS3712C13
  • HMS501L22
  • HSDB 4380
  • HY-B0507
  • IDI1_000560
  • KBio1_000560
  • KBio2_001480
  • KBio2_004048
  • KBio2_006616
  • KBio3_002598
  • KBioGR_000755
  • KBioSS_001480
  • M&B 760
  • M+B 760
  • MFCD00005319
  • MLS002154174
  • N'-(2-Thiazolyl)sulfanilamide
  • N(1)-2-Thiazolylsulfanilamide
  • N(sup 1)-2-Thiazolylsulfanilamide
  • N(sup1)-(2-Thiazolyl)sulfanilamide
  • N(sup1)-2-Thiazolylsulfanilamide
  • N-1-2-Thiazolylsulfanilamide
  • N-2-Thiazolylsulfanilamide
  • N1-(2-Thiazolyl)sulfanilamide
  • N1-2-Thiazolylsulfanilamide
  • NCGC00016309-01
  • NCGC00016309-02
  • NCGC00016309-03
  • NCGC00016309-04
  • NCGC00016309-05
  • NCGC00016309-06
  • NCGC00016309-07
  • NCGC00016309-08
  • NCGC00016309-09
  • NCGC00016309-10
  • NCGC00016309-14
  • NCGC00091133-01
  • NCGC00091133-02
  • NCGC00091133-03
  • NCGC00091133-04
  • NCGC00257187-01
  • NCGC00259792-01
  • NCI60_002730
  • NINDS_000560
  • NSC 31812
  • NSC 683531
  • NSC-31812
  • NSC-683531
  • NSC-757331
  • NSC31812
  • NSC683531
  • NSC757331
  • Neostrepsan
  • Norsulfasol
  • Norsulfazol
  • Norsulfazole
  • Norsulfazolum
  • Oprea1_105970
  • Oprea1_297844
  • Pharmakon1600-01500553
  • Planomide
  • Poliseptil
  • Prestwick0_000016
  • Prestwick1_000016
  • Prestwick2_000016
  • Prestwick3_000016
  • Prestwick_430
  • Pyridine,2-(chloromethyl)-3,4-dimethoxy-
  • Q-201765
  • Q408427
  • RP 2090
  • SBI-0051527.P004
  • SDCCGMLS-0065585.P001
  • SMR000017368
  • SPECTRUM1500553
  • SR-05000001722
  • SR-05000001722-1
  • SR-05000001722-3
  • STK043870
  • SULFATHIAZOLE (TRIPLE SULFA)
  • SULFATHIAZOLE COMPONENT OF GYNE-SULF
  • SULFATHIAZOLE COMPONENT OF SULTRIN
  • SULFATHIAZOLE COMPONENT OF TRYSUL
  • SULFATHIAZOLE COMPONENT OF VAGILIA
  • SULTRIN COMPONENT SULFATHIAZOLE
  • SW149625-4
  • Sanotiazol
  • Septozol
  • Solfatiazolo
  • Streptosilthiazole
  • Sulfamul
  • Sulfanilamide, N(1)-2-thiazolyl-
  • Sulfanilamide, N(sup 1)-2-thiazolyl-
  • Sulfanilamide, N(sup1)-2-thiazolyl-
  • Sulfanilamide, N1-2-thiazolyl-
  • Sulfanilamide, N1-4-thiazolin-2-ylidene-
  • Sulfanilamidothiazole
  • Sulfathiazol
  • Sulfathiazole
  • Sulfathiazole (USP/INN)
  • Sulfathiazole, Antibiotic for Culture Media Use Only
  • Sulfathiazole-13C6
  • Sulfathiazole-d4(benzene-d4)
  • Sulfathiazolum
  • Sulfatiazol
  • Sulfavitina
  • Sulfocerol
  • Sulphathiazole
  • Sulzol
  • TRYSUL COMPONENT SULFATHIAZOLE
  • Thiacoccine
  • Thiasulfol
  • Thiazamide
  • Thiozamide
  • Triple sulfa (sulfathiazole)
  • Usaf sn-9
  • VAGILIA COMPONENT SULFATHIAZOLE
  • WLN: T5N CSJ BMSWR DZ
  • Wintrazole
  • Y7FKS2XWQH
  • YTZ
  • [(4-Aminophenyl)sulfonyl]-1,3-thiazol-2-ylamine
  • cid_5340
  • s3116
  • sulfathiazole
  • sulfthiazole

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC121458
  • CAS-72-14-0
  • UNII-Y7FKS2XWQH
  • AKOS000108630
  • BRD-K14705039-001-05-7
  • BRD-K14705039-001-08-1
  • DTXSID8026068
  • CHEMBL437
  • CHEBI:9337
  • Tox21_110363
  • Tox21_202243
  • Tox21_303238
  • Tox21_110363_1
  • EINECS 200-771-5
  • SPBio_000821
  • SPBio_001972
  • SCHEMBL94165
  • Spectrum_001000
  • Spectrum2_000841
  • Spectrum3_001729
  • Spectrum4_000348
  • Spectrum5_001441

Physico-Chemical properties

IUPAC name4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide
Molecular formulaC9H9N3O2S2
Molecular weight255.317
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity63.63
LogP3.3
Topological polar surface area121.7

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.