Registration Dossier

General information

Inventory

EC number:
256-401-8
EC name:
Sodium 3-(benzothiazol-2-ylthio)propanesulphonate
CAS number:
49625-94-7

No inventory information available

Reference substance information

IUPAC name:
sodium 3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonate
Synonyms
Names:
1-Propanesulfonic acid, 3-(2-benzothiazolylthio)-, sodium salt
sodium 3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonate

CAS information

CAS number:
49625-94-7

Molecular and structural information

Molecular formula:
C10H11NO3S3.Na
Molecular weight:
ca. 311.376
SMILES notation:
[Na+].[O-]S(=O)(=O)CCCSc1nc2ccccc2s1
InChl:
InChI=1/C10H11NO3S3.Na/c12-17(13,14)7-3-6-15-10-11-8-4-1-2-5-9(8)16-10;/h1-2,4-5H,3,6-7H2,(H,12,13,14);/q;+1/p-1
Structural formula:
Chemical structure