HEXYL ISOTHIOCYANATE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H13NS
Molecular Weight	143.25
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of HEXYL ISOTHIOCYANATE

Structure Search

SMILES

CCCCCCN=C=S

InChI

InChIKey=WXYAXKKXIGHXDS-UHFFFAOYSA-N

InChI=1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3

HIDE SMILES / InChI

Molecular Formula	C7H13NS
Molecular Weight	143.25
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:02:35 GMT 2023` Edited by `admin` on `Fri Dec 15 19:02:35 GMT 2023`
Record UNII	2S7C3GA0Z5
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

HEXYL ISOTHIOCYANATE

Systematic Name

English

HEXYL ISOTHIOCYANATE, 1-

Systematic Name

English

HEXYL ISOTHIOCYANATE [FHFI]

Common Name

English

N-HEXYL ISOTHIOCYANATE

Common Name

English

FEMA NO. 4422

Code

English

1-HEXYL ISOTHIOCYANATE

Systematic Name

English

Code System Code Type Description

FDA UNII

2S7C3GA0Z5

Created by admin on Fri Dec 15 19:02:35 GMT 2023 , Edited by admin on Fri Dec 15 19:02:35 GMT 2023

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CAS

4404-45-9

Created by admin on Fri Dec 15 19:02:35 GMT 2023 , Edited by admin on Fri Dec 15 19:02:35 GMT 2023

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JECFA MONOGRAPH

1873

Created by admin on Fri Dec 15 19:02:35 GMT 2023 , Edited by admin on Fri Dec 15 19:02:35 GMT 2023

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ECHA (EC/EINECS)

224-549-2

Created by admin on Fri Dec 15 19:02:35 GMT 2023 , Edited by admin on Fri Dec 15 19:02:35 GMT 2023

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PUBCHEM

78120

Created by admin on Fri Dec 15 19:02:35 GMT 2023 , Edited by admin on Fri Dec 15 19:02:35 GMT 2023

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EPA CompTox

DTXSID50196023

Created by admin on Fri Dec 15 19:02:35 GMT 2023 , Edited by admin on Fri Dec 15 19:02:35 GMT 2023

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