S-METHYL HEXANETHIOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H14OS
Molecular Weight	146.25
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of S-METHYL HEXANETHIOATE

Structure Search

SMILES

CCCCCC(=O)SC

InChI

InChIKey=AKGAHYLJHAOPKQ-UHFFFAOYSA-N

InChI=1S/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C7H14OS
Molecular Weight	146.25
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 19:47:31 GMT 2023` Edited by `admin` on `Fri Dec 15 19:47:31 GMT 2023`
Record UNII	MC7G128ACI
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

S-METHYL HEXANETHIOATE

Systematic Name

English

FEMA NO. 3862

Code

English

HEXANETHIOIC ACID, S-METHYL ESTER

Common Name

English

S-METHYL HEXANETHIOATE [FHFI]

Common Name

English

S-METHYL THIOHEXANOATE

Systematic Name

English

METHANETHIOL CAPROATE

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

S-METHYL HEXANETHIOATE

Created by admin on Fri Dec 15 19:47:31 GMT 2023 , Edited by admin on Fri Dec 15 19:47:31 GMT 2023

Code System Code Type Description

FDA UNII

MC7G128ACI

Created by admin on Fri Dec 15 19:47:31 GMT 2023 , Edited by admin on Fri Dec 15 19:47:31 GMT 2023

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ECHA (EC/EINECS)

219-410-8

Created by admin on Fri Dec 15 19:47:31 GMT 2023 , Edited by admin on Fri Dec 15 19:47:31 GMT 2023

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PUBCHEM

75515

Created by admin on Fri Dec 15 19:47:31 GMT 2023 , Edited by admin on Fri Dec 15 19:47:31 GMT 2023

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JECFA MONOGRAPH

515

Created by admin on Fri Dec 15 19:47:31 GMT 2023 , Edited by admin on Fri Dec 15 19:47:31 GMT 2023

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CAS

2432-77-1

Created by admin on Fri Dec 15 19:47:31 GMT 2023 , Edited by admin on Fri Dec 15 19:47:31 GMT 2023

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EPA CompTox

DTXSID1062417

Created by admin on Fri Dec 15 19:47:31 GMT 2023 , Edited by admin on Fri Dec 15 19:47:31 GMT 2023

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