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Sulfathiazole
CAS: 72-14-0 | C9H9N3O2S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
72-14-0
Molecular Formula:
C9H9N3O2S2
Molecular Weight:
255.32400000000004 g/mol
Names and Synonyms:
Sulfathiazole
Benzenesulfonamide, 4-amino-N-2-thiazolyl-
Sulfanilamide, N1-2-thiazolyl-
Sulfanilamide, N1-4-thiazolin-2-ylidene-
4-Amino-N-2-thiazolylbenzenesulfonamide
M&B 760
2090 R.P.
Ciba 3714
2-(p-Aminobenzenesulphonamido)thiazole
Azoseptale
Chemosept
Cibazol
Duatok
Eleudron
Neostrepsan
Norsulfasol
Norsulfazole
Planomide
Poliseptil
Streptosilthiazole
2-Sulfanilamidothiazole
2-(Sulfanilylamino)thiazole
Sulfathiazol
Sulfathiazole
Sulphathiazole
Sulzol
Thiacoccine
Thiazamide
Thiozamide
Sulfanilamidothiazole
Norsulfazol
N1-(2-Thiazolyl)sulfanilamide
Estafilol
Azoquimiol
Thiasulfol
Dulana
Wintrazole
Sanotiazol
Sulfocerol
2-(p-Aminobenzenesulfonamido)thiazole
2-Sulfathiazole
Sulfavitina
M and B 760
Sulfamul
Enterobiocine
NSC 31812
NSC 683531
4-[(1,3-Thiazol-2-yl)aminosulfonyl]aniline
N-(Thiazol-2-yl)-4-aminobenzenesulfonamide
4-Amino-N-(1,3-thiazol-2-yl)benzenesulfonamide
p-Amino-N-(2-thiazolyl)benzenesulfonamide
Identifiers:
SMILES:
Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChI:
InChI=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)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 255.32 g/mol | Legacy Database |
| density | 1.53 g/cm³ | Legacy Database | |
| cas-canonical-smile | O=S(=O)(NC1=NC=CS1)C2=CC=C(N)C=C2 | Legacy Database | |
| cas-density | 1.53 g/cm3 | Legacy Database | |
| cas-inchi | InChI=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) | Legacy Database | |
| cas-inchi-key | InChIKey=JNMRHUJNCSQMMB-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 202-202.5 °C | Legacy Database | |
| cas-name | Sulfathiazole | Legacy Database | |
| LogP | 1.5261 | RDKit | |
| Molecular | Molecular Weight | 255.32400000000004 g/mol | RDKit |
| Exact | Exact Molecular Weight | 255.013618528 g/mol | RDKit |
| Heavy | Heavy Atom Count | 16 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 3 count | RDKit |
| Aromatic | Aromatic Ring Count | 2 count | RDKit |
| Topological | Topological Polar Surface Area | 85.08 Ų | RDKit |
| Molar | Molar Refractivity | 63.77690000000001 | RDKit |
