2-(Methylthio)phenyl isothiocyanate structure

2-(Methylthio)phenyl isothiocyanate

1-isothiocyanato-2-methylsulfanylbenzene

Also Known As: 2-(Methylthio)phenyl isothiocyanate|ACMC-20aomj|1-Isothiocyanato-2-(methylsulfanyl)benzene|2-(METHYLTHIO)PHENylisoTHIOCYANATE|1-isothiocyanato-2-methylsulfanylbenzene|2-methylthiobenzenisothiocyanate|2-(methylthio)-phenyl-isothiocyanate|1-isothiocyanato-2-methylsulfanyl-benzene|Benzene,1-isothiocyanato-2-(methylthio)-|1-Isothiocyanato-2-(methylsulfanyl)benzene #|2-(Methylthio)phenyl isothiocyanate, 99% - 1G 1g|I01-17260|(1S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-en-2-ylboronicacid|620-891-5

CAS: 51333-75-6
Molecular Formula C8H7NS2
Molecular Weight 181.002 g/mol
LogP 3.8
Topological Polar Surface Area 69.8 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 2
Exact Mass 181.002
Monoisotopic Mass 181.002
Heavy Atoms 11
Complexity 163.0

Chemical Identifiers

CAS Number 51333-75-6
SMILES CSC1=CC=CC=C1N=C=S
InChIKey SIODOISHDGRELW-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.

Food Additives (20 patents) Heterocyclic Building Blocks (7 patents) Organic Building Blocks (2 patents) Pharmaceutical Intermediates (12 patents)

Product Overview

2-(Methylthio)phenyl isothiocyanate (CAS 51333-75-6), with molecular formula C8H7NS2 and molecular weight 181.002 g/mol. IUPAC: 1-isothiocyanato-2-methylsulfanylbenzene.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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