Benzene,1-(isothiocyanatomethyl)-3-methyl-

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Catalog Number

ACM3696660

Product Name

Structure

CAS

3696-66-0

Category

Heterocyclic Organic Compound

Synonyms

3-Methylbenzyl isothiocyanate, MolPort-000-157-087, ZINC02528115, CID138010, 1-(Isothiocyanatomethyl)-3-methylbenzene, 3696-66-0

IUPAC Name

1-(isothiocyanatomethyl)-3-methylbenzene

Molecular Weight

163.2395

Molecular Formula

C9H9NS

Canonical SMILES

CC1=CC(=CC=C1)CN=C=S

InChI Key

NUXFAFWRXGFTQJ-UHFFFAOYSA-N

Boiling Point

262.8ºC at 760mmHg

Flash Point

113.7ºC

Density

1.01g/cm³

Exact Mass

163.04600

H-Bond Acceptor

H-Bond Donor

Safety Description

26-36/37/39

MSDS

COA

Spec Sheet

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