2-BUTYL ISOTHIOCYANATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C5H9NS
Molecular Weight	115.197
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC(C)N=C=S

InChI

InChIKey=TUFJIDJGIQOYFY-UHFFFAOYSA-N

InChI=1S/C5H9NS/c1-3-5(2)6-4-7/h5H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C5H9NS
Molecular Weight	115.197
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Hedge mustard (Sisymbrium officinale): chemical diversity of volatiles and their antimicrobial activity.	2010 Aug	20730965

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:19:35 GMT 2023` Edited by `admin` on `Fri Dec 15 19:19:35 GMT 2023`
Record UNII	126JI237AW
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-BUTYL ISOTHIOCYANATE

Systematic Name

English

2-BUTYLISOTHIOCYANATE [FHFI]

Common Name

English

1-METHYLPROPYL ISOTHIOCYANATE

Systematic Name

English

(±)-2-BUTYL ISOTHIOCYANATE

Systematic Name

English

ISOTHIOCYANIC ACID, SEC-BUTYL ESTER

Common Name

English

SEC-BUTYL ISOTHIOCYANATE

Systematic Name

English

2-ISOTHIOCYANATOBUTANE

Systematic Name

English

BUTANE, 2-ISOTHIOCYANATO-

Systematic Name

English

2-BUTYL ISOTHIOCYANATE, (±)-

Systematic Name

English

FEMA NO. 4419

Code

English

Code System Code Type Description

FDA UNII

126JI237AW