4-THIOCYANATOPYROCATECHOL

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H5NO2S
Molecular Weight	167.185
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-THIOCYANATOPYROCATECHOL

Structure Search

SMILES

OC1=C(O)C=C(SC#N)C=C1

InChI

InChIKey=VRLFTHKJVNALNA-UHFFFAOYSA-N

InChI=1S/C7H5NO2S/c8-4-11-5-1-2-6(9)7(10)3-5/h1-3,9-10H

HIDE SMILES / InChI

Molecular Formula	C7H5NO2S
Molecular Weight	167.185
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 `Tue Apr 01 20:12:23 GMT 2025` Edited by `admin` on `Tue Apr 01 20:12:23 GMT 2025`
Record UNII	CU6YCM5UT0
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-4669

Preferred Name

English

4-THIOCYANATOPYROCATECHOL

Systematic Name

English

THIOCYANIC ACID, 3,4-DIHYDROXYPHENYL ESTER

Common Name

English

Code System Code Type Description

NSC

4669

Created by admin on Tue Apr 01 20:12:23 GMT 2025 , Edited by admin on Tue Apr 01 20:12:23 GMT 2025

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EPA CompTox

DTXSID60202220

Created by admin on Tue Apr 01 20:12:23 GMT 2025 , Edited by admin on Tue Apr 01 20:12:23 GMT 2025

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CAS

5393-22-6

Created by admin on Tue Apr 01 20:12:23 GMT 2025 , Edited by admin on Tue Apr 01 20:12:23 GMT 2025

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PUBCHEM

94836

Created by admin on Tue Apr 01 20:12:23 GMT 2025 , Edited by admin on Tue Apr 01 20:12:23 GMT 2025

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FDA UNII

CU6YCM5UT0

Created by admin on Tue Apr 01 20:12:23 GMT 2025 , Edited by admin on Tue Apr 01 20:12:23 GMT 2025

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