2-HEXYL ISOTHIOCYANATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C7H13NS
Molecular Weight	143.25
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCC(C)N=C=S

InChI

InChIKey=GCZWLZBNDSJSQF-UHFFFAOYSA-N

InChI=1S/C7H13NS/c1-3-4-5-7(2)8-6-9/h7H,3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C7H13NS
Molecular Weight	143.25
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:18:43 GMT 2025` Edited by `admin` on `Wed Apr 02 12:18:43 GMT 2025`
Record UNII	2F4OC17K3G
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-1477

Preferred Name

English

2-HEXYL ISOTHIOCYANATE

Systematic Name

English

ISOTHIOCYANIC ACID, 1-METHYLPENTYL ESTER

Systematic Name

English

2-ISOTHIOCYANATOHEXANE

Systematic Name

English

HEXANE, 2-ISOTHIOCYANATO-

Systematic Name

English

Code System Code Type Description

NSC

1477

Created by admin on Wed Apr 02 12:18:43 GMT 2025 , Edited by admin on Wed Apr 02 12:18:43 GMT 2025

PRIMARY

PUBCHEM

219793

Created by admin on Wed Apr 02 12:18:43 GMT 2025 , Edited by admin on Wed Apr 02 12:18:43 GMT 2025

PRIMARY

CAS

5334-87-2

Created by admin on Wed Apr 02 12:18:43 GMT 2025 , Edited by admin on Wed Apr 02 12:18:43 GMT 2025

PRIMARY

FDA UNII

2F4OC17K3G

Created by admin on Wed Apr 02 12:18:43 GMT 2025 , Edited by admin on Wed Apr 02 12:18:43 GMT 2025

PRIMARY