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Details

Stereochemistry MIXED
Molecular Formula C7H14O2S
Molecular Weight 162.25
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 3-MERCAPTO-2-METHYLBUTANOATE

SMILES

CCOC(=O)C(C)C(C)S

InChI

InChIKey=YWBKQHMUWNMQOP-UHFFFAOYSA-N
InChI=1S/C7H14O2S/c1-4-9-7(8)5(2)6(3)10/h5-6,10H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C7H14O2S
Molecular Weight 162.25
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:51:17 GMT 2023
Edited
by admin
on Fri Dec 15 19:51:17 GMT 2023
Record UNII
VH5CF6RF6Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL 3-MERCAPTO-2-METHYLBUTANOATE
Systematic Name English
ETHYL 3-MERCAPTO-2-METHYLBUTANOATE, (±)-
Systematic Name English
ETHYL 3-MERCAPTO-2-METHYLBUTYRATE
Systematic Name English
ETHYL 2-METHYL-3-SULFANYLBUTANOATE
Systematic Name English
(±)-ETHYL 3-MERCAPTO-2-METHYLBUTANOATE [FHFI]
Common Name English
BUTANOIC ACID, 3-MERCAPTO-2-METHYL-, ETHYL ESTER
Common Name English
Code System Code Type Description
CAS
888021-82-7
Created by admin on Fri Dec 15 19:51:17 GMT 2023 , Edited by admin on Fri Dec 15 19:51:17 GMT 2023
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EPA CompTox
DTXSID70889228
Created by admin on Fri Dec 15 19:51:17 GMT 2023 , Edited by admin on Fri Dec 15 19:51:17 GMT 2023
PRIMARY
PUBCHEM
20656016
Created by admin on Fri Dec 15 19:51:17 GMT 2023 , Edited by admin on Fri Dec 15 19:51:17 GMT 2023
PRIMARY
FDA UNII
VH5CF6RF6Q
Created by admin on Fri Dec 15 19:51:17 GMT 2023 , Edited by admin on Fri Dec 15 19:51:17 GMT 2023
PRIMARY
JECFA MONOGRAPH
1906
Created by admin on Fri Dec 15 19:51:17 GMT 2023 , Edited by admin on Fri Dec 15 19:51:17 GMT 2023
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