S-ISOPROPYL 3-METHYLTHIOCROTONATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H14OS
Molecular Weight	158.261
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of S-ISOPROPYL 3-METHYLTHIOCROTONATE

Structure Search

SMILES

CC(C)SC(=O)C=C(C)C

InChI

InChIKey=IZVXTRDVESJRTA-UHFFFAOYSA-N

InChI=1S/C8H14OS/c1-6(2)5-8(9)10-7(3)4/h5,7H,1-4H3

HIDE SMILES / InChI

Molecular Formula	C8H14OS
Molecular Weight	158.261
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 `Fri Dec 15 21:15:54 GMT 2023` Edited by `admin` on `Fri Dec 15 21:15:54 GMT 2023`
Record UNII	NZT1CT5W8U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

S-ISOPROPYL 3-METHYLTHIOCROTONATE

Systematic Name

English

S-ISOPROPYL 3-METHYL-2-BUTENETHIOATE

Systematic Name

English

2-BUTENETHIOIC ACID, 3-METHYL-, S-(1-METHYLETHYL) ESTER

Common Name

English

S-ISOPROPYL 3-METHYLBUT-2-ENETHIOATE

Systematic Name

English

CROTONIC ACID, 3-METHYLTHIO-, S-ISOPROPYL ESTER

Common Name

English

FEMA NO. 4260

Code

English

S-ISOPROPYL 3-METHYLBUT-2-ENETHIOATE [FHFI]

Common Name

English

Code System Code Type Description

FDA UNII

NZT1CT5W8U

Created by admin on Fri Dec 15 21:15:54 GMT 2023 , Edited by admin on Fri Dec 15 21:15:54 GMT 2023

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ECHA (EC/EINECS)

251-966-7

Created by admin on Fri Dec 15 21:15:54 GMT 2023 , Edited by admin on Fri Dec 15 21:15:54 GMT 2023

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EPA CompTox

DTXSID1067837

Created by admin on Fri Dec 15 21:15:54 GMT 2023 , Edited by admin on Fri Dec 15 21:15:54 GMT 2023

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JECFA MONOGRAPH

1667

Created by admin on Fri Dec 15 21:15:54 GMT 2023 , Edited by admin on Fri Dec 15 21:15:54 GMT 2023

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CAS

34365-79-2

Created by admin on Fri Dec 15 21:15:54 GMT 2023 , Edited by admin on Fri Dec 15 21:15:54 GMT 2023

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PUBCHEM

118658

Created by admin on Fri Dec 15 21:15:54 GMT 2023 , Edited by admin on Fri Dec 15 21:15:54 GMT 2023

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