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Details

Stereochemistry ACHIRAL
Molecular Formula C12H13NO3S3
Molecular Weight 315.432
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(Morpholine-4-carbothioyldisulfanyl)benzoic acid

SMILES

OC(=O)C1=C(SSC(=S)N2CCOCC2)C=CC=C1

InChI

InChIKey=IQRJUUNHTPACIW-UHFFFAOYSA-N
InChI=1S/C12H13NO3S3/c14-11(15)9-3-1-2-4-10(9)18-19-12(17)13-5-7-16-8-6-13/h1-4H,5-8H2,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C12H13NO3S3
Molecular Weight 315.432
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 13:07:42 GMT 2023
Edited
by admin
on Sat Dec 16 13:07:42 GMT 2023
Record UNII
KB2DEG2RNK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(Morpholine-4-carbothioyldisulfanyl)benzoic acid
Systematic Name English
Benzoic acid, 2-[(4-morpholinylthioxomethyl)dithio]-
Systematic Name English
NSC-297321
Code English
2-[(4-Morpholinylthioxomethyl)dithio]benzoic acid
Systematic Name English
4-MORPHOLINECARBO(DITHIOPEROXO)THIOIC ACID, 2-CARBOXYPHENYL ESTER
Common Name English
Code System Code Type Description
NSC
297321
Created by admin on Sat Dec 16 13:07:42 GMT 2023 , Edited by admin on Sat Dec 16 13:07:42 GMT 2023
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CAS
62911-19-7
Created by admin on Sat Dec 16 13:07:42 GMT 2023 , Edited by admin on Sat Dec 16 13:07:42 GMT 2023
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FDA UNII
KB2DEG2RNK
Created by admin on Sat Dec 16 13:07:42 GMT 2023 , Edited by admin on Sat Dec 16 13:07:42 GMT 2023
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PUBCHEM
72600
Created by admin on Sat Dec 16 13:07:42 GMT 2023 , Edited by admin on Sat Dec 16 13:07:42 GMT 2023
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EPA CompTox
DTXSID80212104
Created by admin on Sat Dec 16 13:07:42 GMT 2023 , Edited by admin on Sat Dec 16 13:07:42 GMT 2023
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