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Details

Stereochemistry ACHIRAL
Molecular Formula C10H8O5S
Molecular Weight 240.233
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 3-HYDROXYBENZO(B)THIOPHENE-2-CARBOXYLATE 1,1-DIOXIDE

SMILES

COC(=O)C1=C(O)C2=CC=CC=C2S1(=O)=O

InChI

InChIKey=HJCMWOVPTCMTMC-UHFFFAOYSA-N
InChI=1S/C10H8O5S/c1-15-10(12)9-8(11)6-4-2-3-5-7(6)16(9,13)14/h2-5,11H,1H3

HIDE SMILES / InChI

Molecular Formula C10H8O5S
Molecular Weight 240.233
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 Tue Apr 01 19:05:48 GMT 2025
Edited
by admin
on Tue Apr 01 19:05:48 GMT 2025
Record UNII
TZV9U56YED
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZO(B)THIOPHENE-2-CARBOXYLIC ACID, 3-HYDROXY-, METHYL ESTER, 1,1-DIOXIDE
Preferred Name English
METHYL 3-HYDROXYBENZO(B)THIOPHENE-2-CARBOXYLATE 1,1-DIOXIDE
Systematic Name English
Code System Code Type Description
FDA UNII
TZV9U56YED
Created by admin on Tue Apr 01 19:05:48 GMT 2025 , Edited by admin on Tue Apr 01 19:05:48 GMT 2025
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CAS
21211-28-9
Created by admin on Tue Apr 01 19:05:48 GMT 2025 , Edited by admin on Tue Apr 01 19:05:48 GMT 2025
PRIMARY
ECHA (EC/EINECS)
244-272-0
Created by admin on Tue Apr 01 19:05:48 GMT 2025 , Edited by admin on Tue Apr 01 19:05:48 GMT 2025
PRIMARY
EPA CompTox
DTXSID20175441
Created by admin on Tue Apr 01 19:05:48 GMT 2025 , Edited by admin on Tue Apr 01 19:05:48 GMT 2025
PRIMARY
PUBCHEM
54692959
Created by admin on Tue Apr 01 19:05:48 GMT 2025 , Edited by admin on Tue Apr 01 19:05:48 GMT 2025
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