ACETIC ACID, THIOCYANATO-, BUTYL ESTER

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H11NO2S
Molecular Weight	173.233
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ACETIC ACID, THIOCYANATO-, BUTYL ESTER

Structure Search

SMILES

CCCCOC(=O)CSC#N

InChI

InChIKey=XZTITLBRCIKBCW-UHFFFAOYSA-N

InChI=1S/C7H11NO2S/c1-2-3-4-10-7(9)5-11-6-8/h2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula	C7H11NO2S
Molecular Weight	173.233
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 12:45:38 GMT 2023` Edited by `admin` on `Sat Dec 16 12:45:38 GMT 2023`
Record UNII	R10SIU4BNY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACETIC ACID, THIOCYANATO-, BUTYL ESTER

Common Name

English

ACETIC ACID, 2-THIOCYANATO-, BUTYL ESTER

Systematic Name

English

NSC-1716

Code

English

Code System Code Type Description

EPA CompTox

DTXSID60201617

Created by admin on Sat Dec 16 12:45:38 GMT 2023 , Edited by admin on Sat Dec 16 12:45:38 GMT 2023

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NSC

1716

Created by admin on Sat Dec 16 12:45:38 GMT 2023 , Edited by admin on Sat Dec 16 12:45:38 GMT 2023

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PUBCHEM

21442

Created by admin on Sat Dec 16 12:45:38 GMT 2023 , Edited by admin on Sat Dec 16 12:45:38 GMT 2023

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CAS

5345-64-2

Created by admin on Sat Dec 16 12:45:38 GMT 2023 , Edited by admin on Sat Dec 16 12:45:38 GMT 2023

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FDA UNII

R10SIU4BNY

Created by admin on Sat Dec 16 12:45:38 GMT 2023 , Edited by admin on Sat Dec 16 12:45:38 GMT 2023

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