METHYL 4-AMINO-5-THIOCYANATO-O-ANISATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H10N2O3S
Molecular Weight	238.263
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYL 4-AMINO-5-THIOCYANATO-O-ANISATE

Structure Search

SMILES

COC(=O)C1=CC(SC#N)=C(N)C=C1OC

InChI

InChIKey=IRGMWPMUTWZIIJ-UHFFFAOYSA-N

InChI=1S/C10H10N2O3S/c1-14-8-4-7(12)9(16-5-11)3-6(8)10(13)15-2/h3-4H,12H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C10H10N2O3S
Molecular Weight	238.263
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 19:02:17 GMT 2025` Edited by `admin` on `Tue Apr 01 19:02:17 GMT 2025`
Record UNII	7MFH7BCA4X
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BENZOIC ACID, 4-AMINO-2-METHOXY-5-THIOCYANATO-, METHYL ESTER

Preferred Name

English

METHYL 4-AMINO-5-THIOCYANATO-O-ANISATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

100974

Created by admin on Tue Apr 01 19:02:17 GMT 2025 , Edited by admin on Tue Apr 01 19:02:17 GMT 2025

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EPA CompTox

DTXSID40207894

Created by admin on Tue Apr 01 19:02:17 GMT 2025 , Edited by admin on Tue Apr 01 19:02:17 GMT 2025

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ECHA (EC/EINECS)

261-639-0

Created by admin on Tue Apr 01 19:02:17 GMT 2025 , Edited by admin on Tue Apr 01 19:02:17 GMT 2025

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CAS

59168-56-8

Created by admin on Tue Apr 01 19:02:17 GMT 2025 , Edited by admin on Tue Apr 01 19:02:17 GMT 2025

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FDA UNII

7MFH7BCA4X

Created by admin on Tue Apr 01 19:02:17 GMT 2025 , Edited by admin on Tue Apr 01 19:02:17 GMT 2025

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