U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C3H8N2O3S2
Molecular Weight 184.237
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(CARBAMIMIDOYLSULFANYL)ETHANESULFONIC ACID

SMILES

NC(=N)SCCS(O)(=O)=O

InChI

InChIKey=LTHWZZOUNJCHES-UHFFFAOYSA-N
InChI=1S/C3H8N2O3S2/c4-3(5)9-1-2-10(6,7)8/h1-2H2,(H3,4,5)(H,6,7,8)

HIDE SMILES / InChI

Molecular Formula C3H8N2O3S2
Molecular Weight 184.237
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 10:37:18 GMT 2023
Edited
by admin
on Sat Dec 16 10:37:18 GMT 2023
Record UNII
Q288RVR1N9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(CARBAMIMIDOYLSULFANYL)ETHANESULFONIC ACID
Systematic Name English
ETHANESULFONIC ACID, 2-((AMINOIMINOMETHYL)THIO)-
Systematic Name English
2-S-THIURONIUM ETHANESULFONATE
Systematic Name English
CARBAMIMIDOTHIOIC ACID, 2-SULFOETHYL ESTER
Systematic Name English
THIOURONIUM ETHANESULFONIC ACID [USP IMPURITY]
Common Name English
MESNA IMPURITY A [EP IMPURITY]
Common Name English
PSEUDOUREA, 2-(2-SULFOETHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
117698
Created by admin on Sat Dec 16 10:37:18 GMT 2023 , Edited by admin on Sat Dec 16 10:37:18 GMT 2023
PRIMARY
ECHA (EC/EINECS)
247-391-6
Created by admin on Sat Dec 16 10:37:18 GMT 2023 , Edited by admin on Sat Dec 16 10:37:18 GMT 2023
PRIMARY
CAS
25985-57-3
Created by admin on Sat Dec 16 10:37:18 GMT 2023 , Edited by admin on Sat Dec 16 10:37:18 GMT 2023
PRIMARY
FDA UNII
Q288RVR1N9
Created by admin on Sat Dec 16 10:37:18 GMT 2023 , Edited by admin on Sat Dec 16 10:37:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID90885323
Created by admin on Sat Dec 16 10:37:18 GMT 2023 , Edited by admin on Sat Dec 16 10:37:18 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY
Correction factors: for the calculation of contents, multiply the peak areas by 0.01
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP