Butyl (methylthio)acetate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H14O2S
Molecular Weight	162.25
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Butyl (methylthio)acetate

Structure Search

SMILES

CCCCOC(=O)CSC

InChI

InChIKey=QXJSYAFLDDZIQI-UHFFFAOYSA-N

InChI=1S/C7H14O2S/c1-3-4-5-9-7(8)6-10-2/h3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C7H14O2S
Molecular Weight	162.25
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 `Sat Dec 16 12:02:42 GMT 2023` Edited by `admin` on `Sat Dec 16 12:02:42 GMT 2023`
Record UNII	QN58WY5942
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Butyl (methylthio)acetate

Systematic Name

English

Acetic acid, (methylthio)-, butyl ester

Common Name

English

Butyl 2-(methylthio)acetate

Systematic Name

English

Acetic acid, 2-(methylthio)-, butyl ester

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID5070577

Created by admin on Sat Dec 16 12:02:42 GMT 2023 , Edited by admin on Sat Dec 16 12:02:42 GMT 2023

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FDA UNII

QN58WY5942

Created by admin on Sat Dec 16 12:02:42 GMT 2023 , Edited by admin on Sat Dec 16 12:02:42 GMT 2023

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CAS

67746-25-2

Created by admin on Sat Dec 16 12:02:42 GMT 2023 , Edited by admin on Sat Dec 16 12:02:42 GMT 2023

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ECHA (EC/EINECS)

266-987-7

Created by admin on Sat Dec 16 12:02:42 GMT 2023 , Edited by admin on Sat Dec 16 12:02:42 GMT 2023

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PUBCHEM

105572

Created by admin on Sat Dec 16 12:02:42 GMT 2023 , Edited by admin on Sat Dec 16 12:02:42 GMT 2023

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