3,4,5-TRIMETHOXYPHENYL ISOTHIOCYANATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H11NO3S
Molecular Weight	225.264
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3,4,5-TRIMETHOXYPHENYL ISOTHIOCYANATE

Structure Search

SMILES

COC1=CC(=CC(OC)=C1OC)N=C=S

InChI

InChIKey=AFWKAIYTSPWWCA-UHFFFAOYSA-N

InChI=1S/C10H11NO3S/c1-12-8-4-7(11-6-15)5-9(13-2)10(8)14-3/h4-5H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C10H11NO3S
Molecular Weight	225.264
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:46:53 GMT 2025` Edited by `admin` on `Tue Apr 01 17:46:53 GMT 2025`
Record UNII	7A2333C6KU
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BENZENE, 5-ISOTHIOCYANATO-1,2,3-TRIMETHOXY-

Preferred Name

English

3,4,5-TRIMETHOXYPHENYL ISOTHIOCYANATE

Systematic Name

English

5-ISOTHIOCYANATO-1,2,3-TRIMETHOXYBENZENE

Systematic Name

English

Code System Code Type Description

CAS

35967-24-9

Created by admin on Tue Apr 01 17:46:53 GMT 2025 , Edited by admin on Tue Apr 01 17:46:53 GMT 2025

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EPA CompTox

DTXSID90189515

Created by admin on Tue Apr 01 17:46:53 GMT 2025 , Edited by admin on Tue Apr 01 17:46:53 GMT 2025

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FDA UNII

7A2333C6KU

Created by admin on Tue Apr 01 17:46:53 GMT 2025 , Edited by admin on Tue Apr 01 17:46:53 GMT 2025

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ECHA (EC/EINECS)

252-820-5

Created by admin on Tue Apr 01 17:46:53 GMT 2025 , Edited by admin on Tue Apr 01 17:46:53 GMT 2025

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PUBCHEM

118900

Created by admin on Tue Apr 01 17:46:53 GMT 2025 , Edited by admin on Tue Apr 01 17:46:53 GMT 2025

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