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Details

Stereochemistry ACHIRAL
Molecular Formula C10H11NO3S3
Molecular Weight 289.394
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(BENZO(D)THIAZOL-2-YLTHIO)PROPANE-1-SULFONIC ACID

SMILES

OS(=O)(=O)CCCSC1=NC2=C(S1)C=CC=C2

InChI

InChIKey=XBNHRNFODJOFRU-UHFFFAOYSA-N
InChI=1S/C10H11NO3S3/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)

HIDE SMILES / InChI

Molecular Formula C10H11NO3S3
Molecular Weight 289.394
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:35:26 GMT 2023
Edited
by admin
on Sat Dec 16 11:35:26 GMT 2023
Record UNII
Q071BHM3ZE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(BENZO(D)THIAZOL-2-YLTHIO)PROPANE-1-SULFONIC ACID
Common Name English
3-(2-BENZOTHIAZOLYLTHIO)-1-PROPANESULFONIC ACID
Systematic Name English
3-(1,3-BENZOTHIAZOL-2-YLSULFANYL)PROPANE-1-SULFONIC ACID
Common Name English
1-PROPANESULFONIC ACID, 3-(2-BENZOTHIAZOLYLTHIO)-
Systematic Name English
Code System Code Type Description
DRUG BANK
DB03132
Created by admin on Sat Dec 16 11:35:26 GMT 2023 , Edited by admin on Sat Dec 16 11:35:26 GMT 2023
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CAS
4720-61-0
Created by admin on Sat Dec 16 11:35:26 GMT 2023 , Edited by admin on Sat Dec 16 11:35:26 GMT 2023
PRIMARY
FDA UNII
Q071BHM3ZE
Created by admin on Sat Dec 16 11:35:26 GMT 2023 , Edited by admin on Sat Dec 16 11:35:26 GMT 2023
PRIMARY
PUBCHEM
162569
Created by admin on Sat Dec 16 11:35:26 GMT 2023 , Edited by admin on Sat Dec 16 11:35:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID0063571
Created by admin on Sat Dec 16 11:35:26 GMT 2023 , Edited by admin on Sat Dec 16 11:35:26 GMT 2023
PRIMARY