Allyl thiocyanate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C4H5NS
Molecular Weight	99.154
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Allyl thiocyanate

Structure Search

SMILES

C=CCSC#N

InChI

InChIKey=IFVYHJRLWCUVBB-UHFFFAOYSA-N

InChI=1S/C4H5NS/c1-2-3-6-4-5/h2H,1,3H2

HIDE SMILES / InChI

Molecular Formula	C4H5NS
Molecular Weight	99.154
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 `Mon Mar 31 19:16:54 GMT 2025` Edited by `admin` on `Mon Mar 31 19:16:54 GMT 2025`
Record UNII	CV25AS3FVT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-Thiocyano-2-propene

Preferred Name

English

Allyl thiocyanate

Systematic Name

English

Thiocyanic acid, 2-propenyl ester

Systematic Name

English

3-Thiocyanatopropene

Systematic Name

English

Thiocyanic acid, 2-propen-1-yl ester

Systematic Name

English

Propene, 3-thiocyanato-

Systematic Name

English

Thiocyanic acid, allyl ester

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

212-126-5

Created by admin on Mon Mar 31 19:16:54 GMT 2025 , Edited by admin on Mon Mar 31 19:16:54 GMT 2025

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EPA CompTox

DTXSID00870765

Created by admin on Mon Mar 31 19:16:54 GMT 2025 , Edited by admin on Mon Mar 31 19:16:54 GMT 2025

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PUBCHEM

69816

Created by admin on Mon Mar 31 19:16:54 GMT 2025 , Edited by admin on Mon Mar 31 19:16:54 GMT 2025

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FDA UNII

CV25AS3FVT

Created by admin on Mon Mar 31 19:16:54 GMT 2025 , Edited by admin on Mon Mar 31 19:16:54 GMT 2025

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CAS

764-49-8

Created by admin on Mon Mar 31 19:16:54 GMT 2025 , Edited by admin on Mon Mar 31 19:16:54 GMT 2025

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