ACETIC ACID, THIOCYANATO-, CYCLOHEXYL ESTER

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H13NO2S
Molecular Weight	199.27
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ACETIC ACID, THIOCYANATO-, CYCLOHEXYL ESTER

Structure Search

SMILES

O=C(CSC#N)OC1CCCCC1

InChI

InChIKey=ZSPGSFWBGIOVLF-UHFFFAOYSA-N

InChI=1S/C9H13NO2S/c10-7-13-6-9(11)12-8-4-2-1-3-5-8/h8H,1-6H2

HIDE SMILES / InChI

Molecular Formula	C9H13NO2S
Molecular Weight	199.27
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 12:45:32 GMT 2023` Edited by `admin` on `Sat Dec 16 12:45:32 GMT 2023`
Record UNII	H2NM9K22RG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACETIC ACID, THIOCYANATO-, CYCLOHEXYL ESTER

Common Name

English

ACETIC ACID, 2-THIOCYANATO-, CYCLOHEXYL ESTER

Systematic Name

English

NSC-1200

Code

English

CYCLOHEXANOL, THIOCYANATOACETATE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20201673

Created by admin on Sat Dec 16 12:45:32 GMT 2023 , Edited by admin on Sat Dec 16 12:45:32 GMT 2023

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FDA UNII

H2NM9K22RG

Created by admin on Sat Dec 16 12:45:32 GMT 2023 , Edited by admin on Sat Dec 16 12:45:32 GMT 2023

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NSC

1200

Created by admin on Sat Dec 16 12:45:32 GMT 2023 , Edited by admin on Sat Dec 16 12:45:32 GMT 2023

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PUBCHEM

21445

Created by admin on Sat Dec 16 12:45:32 GMT 2023 , Edited by admin on Sat Dec 16 12:45:32 GMT 2023

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CAS

5349-27-9

Created by admin on Sat Dec 16 12:45:32 GMT 2023 , Edited by admin on Sat Dec 16 12:45:32 GMT 2023

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