1-(Benzylthio)acetone

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H12OS
Molecular Weight	180.267
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(Benzylthio)acetone

Structure Search

SMILES

CC(=O)CSCC1=CC=CC=C1

InChI

InChIKey=OIEDQMIEPJIRFT-UHFFFAOYSA-N

InChI=1S/C10H12OS/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

HIDE SMILES / InChI

Molecular Formula	C10H12OS
Molecular Weight	180.267
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 `Tue Apr 01 19:15:30 GMT 2025` Edited by `admin` on `Tue Apr 01 19:15:30 GMT 2025`
Record UNII	E9J6F7N54U
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-(Benzylthio)acetone

Systematic Name

English

1-(Benzylthio)-2-propanone

Preferred Name

English

1-[(Phenylmethyl)thio]-2-propanone

Systematic Name

English

2-Propanone, 1-[(phenylmethyl)thio]-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50144887

Created by admin on Tue Apr 01 19:15:30 GMT 2025 , Edited by admin on Tue Apr 01 19:15:30 GMT 2025

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CAS

10230-69-0

Created by admin on Tue Apr 01 19:15:30 GMT 2025 , Edited by admin on Tue Apr 01 19:15:30 GMT 2025

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PUBCHEM

82472

Created by admin on Tue Apr 01 19:15:30 GMT 2025 , Edited by admin on Tue Apr 01 19:15:30 GMT 2025

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FDA UNII

E9J6F7N54U

Created by admin on Tue Apr 01 19:15:30 GMT 2025 , Edited by admin on Tue Apr 01 19:15:30 GMT 2025

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ECHA (EC/EINECS)

233-552-8

Created by admin on Tue Apr 01 19:15:30 GMT 2025 , Edited by admin on Tue Apr 01 19:15:30 GMT 2025

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