S-SEC-BUTYL 3-METHYLBUT-2-ENETHIOATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C9H16OS
Molecular Weight	172.288
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of S-SEC-BUTYL 3-METHYLBUT-2-ENETHIOATE

Structure Search

SMILES

CCC(C)SC(=O)C=C(C)C

InChI

InChIKey=GGGWOXLORXHXFZ-UHFFFAOYSA-N

InChI=1S/C9H16OS/c1-5-8(4)11-9(10)6-7(2)3/h6,8H,5H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C9H16OS
Molecular Weight	172.288
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:30:44 GMT 2025` Edited by `admin` on `Tue Apr 01 16:30:44 GMT 2025`
Record UNII	AJD6235QYA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

S-SEC-BUTYL 3-METHYLBUT-2-ENETHIOATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

118148

Created by admin on Tue Apr 01 16:30:44 GMT 2025 , Edited by admin on Tue Apr 01 16:30:44 GMT 2025

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ECHA (EC/EINECS)

251-938-4

Created by admin on Tue Apr 01 16:30:44 GMT 2025 , Edited by admin on Tue Apr 01 16:30:44 GMT 2025

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FDA UNII

AJD6235QYA

Created by admin on Tue Apr 01 16:30:44 GMT 2025 , Edited by admin on Tue Apr 01 16:30:44 GMT 2025

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EPA CompTox

DTXSID60865713

Created by admin on Tue Apr 01 16:30:44 GMT 2025 , Edited by admin on Tue Apr 01 16:30:44 GMT 2025

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CAS

34322-09-3

Created by admin on Tue Apr 01 16:30:44 GMT 2025 , Edited by admin on Tue Apr 01 16:30:44 GMT 2025

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