ISOBUTYL THIOCYANATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H9NS
Molecular Weight	115.197
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISOBUTYL THIOCYANATE

Structure Search

SMILES

CC(C)CSC#N

InChI

InChIKey=BLSFLVKIPDSJJL-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C5H9NS
Molecular Weight	115.197
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 `Sat Dec 16 08:59:22 GMT 2023` Edited by `admin` on `Sat Dec 16 08:59:22 GMT 2023`
Record UNII	43T0L060KB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOBUTYL THIOCYANATE

Systematic Name

English

2-METHYLPROPYL THIOCYANATE

Systematic Name

English

ISOBUTYL THIOCYANATE [MI]

Common Name

English

ISOBUTYL SULFOCYANATE

Systematic Name

English

THIOCYANIC ACID, 2-METHYLPROPYL ESTER

Systematic Name

English

Code System Code Type Description

PUBCHEM

136377

Created by admin on Sat Dec 16 08:59:22 GMT 2023 , Edited by admin on Sat Dec 16 08:59:22 GMT 2023

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CAS

591-84-4

Created by admin on Sat Dec 16 08:59:22 GMT 2023 , Edited by admin on Sat Dec 16 08:59:22 GMT 2023

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EPA CompTox

DTXSID70207847

Created by admin on Sat Dec 16 08:59:22 GMT 2023 , Edited by admin on Sat Dec 16 08:59:22 GMT 2023

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FDA UNII

43T0L060KB

Created by admin on Sat Dec 16 08:59:22 GMT 2023 , Edited by admin on Sat Dec 16 08:59:22 GMT 2023

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MERCK INDEX

m782

Created by admin on Sat Dec 16 08:59:22 GMT 2023 , Edited by admin on Sat Dec 16 08:59:22 GMT 2023

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Merck Index