4-METHOXYBENZYL ISOTHIOCYANATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H9NOS
Molecular Weight	179.239
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 4-METHOXYBENZYL ISOTHIOCYANATE

Structure Search

SMILES

COC1=CC=C(CN=C=S)C=C1

InChI

InChIKey=IMFQYAJJXFXVMM-UHFFFAOYSA-N

InChI=1S/C9H9NOS/c1-11-9-4-2-8(3-5-9)6-10-7-12/h2-5H,6H2,1H3

HIDE SMILES / InChI

Molecular Formula	C9H9NOS
Molecular Weight	179.239
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 `Wed Apr 02 06:43:52 GMT 2025` Edited by `admin` on `Wed Apr 02 06:43:52 GMT 2025`
Record UNII	2PA7V3TJK2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-METHOXYBENZYL ISOTHIOCYANATE

Common Name

English

P-METHOXYBENZYL ISOTHIOCYANATE

Preferred Name

English

1-(ISOTHIOCYANATOMETHYL)-4-METHOXY-BENZENE

Systematic Name

English

BENZENE, 1-(ISOTHIOCYANATOMETHYL)-4-METHOXY-

Systematic Name

English

1-ISOTHIOCYANATOMETHYL-4-METHOXYBENZENE

Systematic Name

English

Code System Code Type Description

CAS

3694-57-3

Created by admin on Wed Apr 02 06:43:52 GMT 2025 , Edited by admin on Wed Apr 02 06:43:52 GMT 2025

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FDA UNII

2PA7V3TJK2

Created by admin on Wed Apr 02 06:43:52 GMT 2025 , Edited by admin on Wed Apr 02 06:43:52 GMT 2025

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EPA CompTox

DTXSID80190438

Created by admin on Wed Apr 02 06:43:52 GMT 2025 , Edited by admin on Wed Apr 02 06:43:52 GMT 2025

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PUBCHEM

123197

Created by admin on Wed Apr 02 06:43:52 GMT 2025 , Edited by admin on Wed Apr 02 06:43:52 GMT 2025

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