Octadecyl isothiocyanate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H37NS
Molecular Weight	311.569
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Octadecyl isothiocyanate

Structure Search

SMILES

CCCCCCCCCCCCCCCCCCN=C=S

InChI

InChIKey=VJIRSSFEIRFISD-UHFFFAOYSA-N

InChI=1S/C19H37NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3

HIDE SMILES / InChI

Molecular Formula	C19H37NS
Molecular Weight	311.569
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 `Tue Apr 01 18:45:51 GMT 2025` Edited by `admin` on `Tue Apr 01 18:45:51 GMT 2025`
Record UNII	VR5E4V8TRW
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Octadecane, 1-isothiocyanato-

Preferred Name

English

Octadecyl isothiocyanate

Systematic Name

English

1-Isothiocyanatooctadecane

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID0062680

Created by admin on Tue Apr 01 18:45:51 GMT 2025 , Edited by admin on Tue Apr 01 18:45:51 GMT 2025

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PUBCHEM

76140

Created by admin on Tue Apr 01 18:45:51 GMT 2025 , Edited by admin on Tue Apr 01 18:45:51 GMT 2025

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ECHA (EC/EINECS)

220-722-1

Created by admin on Tue Apr 01 18:45:51 GMT 2025 , Edited by admin on Tue Apr 01 18:45:51 GMT 2025

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FDA UNII

VR5E4V8TRW

Created by admin on Tue Apr 01 18:45:51 GMT 2025 , Edited by admin on Tue Apr 01 18:45:51 GMT 2025

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CAS

2877-26-1

Created by admin on Tue Apr 01 18:45:51 GMT 2025 , Edited by admin on Tue Apr 01 18:45:51 GMT 2025

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