4-(Butylthio)-4-methyl-2-pentanone

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H20OS
Molecular Weight	188.33
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(Butylthio)-4-methyl-2-pentanone

Structure Search

SMILES

CCCCSC(C)(C)CC(C)=O

InChI

InChIKey=GPORBOQNCZHDBJ-UHFFFAOYSA-N

InChI=1S/C10H20OS/c1-5-6-7-12-10(3,4)8-9(2)11/h5-8H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C10H20OS
Molecular Weight	188.33
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 17:48:30 GMT 2025` Edited by `admin` on `Tue Apr 01 17:48:30 GMT 2025`
Record UNII	Q4H37DMQ4E
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4-(Butylthio)-4-methylpentan-2-one

Preferred Name

English

4-(Butylthio)-4-methyl-2-pentanone

Systematic Name

English

2-Pentanone, 4-(butylthio)-4-methyl-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

304-709-9

Created by admin on Tue Apr 01 17:48:30 GMT 2025 , Edited by admin on Tue Apr 01 17:48:30 GMT 2025

PRIMARY

FDA UNII

Q4H37DMQ4E

Created by admin on Tue Apr 01 17:48:30 GMT 2025 , Edited by admin on Tue Apr 01 17:48:30 GMT 2025

PRIMARY

EPA CompTox

DTXSID70241387

Created by admin on Tue Apr 01 17:48:30 GMT 2025 , Edited by admin on Tue Apr 01 17:48:30 GMT 2025

PRIMARY

CAS

94278-21-4

Created by admin on Tue Apr 01 17:48:30 GMT 2025 , Edited by admin on Tue Apr 01 17:48:30 GMT 2025

PRIMARY

PUBCHEM

3024239

Created by admin on Tue Apr 01 17:48:30 GMT 2025 , Edited by admin on Tue Apr 01 17:48:30 GMT 2025

PRIMARY