![2-[2-(Isothiocyanatomethyl)phenyl]acetonitrile structure](/static/products/401/401571-90-2.png)
2-[2-(Isothiocyanatomethyl)phenyl]acetonitrile
2-[2-(isothiocyanatomethyl)phenyl]acetonitrile
Also Known As: PC8870|(2-Isothiocyanatomethyl-phenyl)-acetonitrile|2-[2-(isothiocyanatomethyl)phenyl]acetonitrile
CAS: 401571-90-2
| Molecular Formula | C10H8N2S |
|---|---|
| Molecular Weight | 188.04082 g/mol |
| LogP | 2.35548 |
| Topological Polar Surface Area | 36.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.04082 |
| Monoisotopic Mass | 188.04082 |
| Heavy Atoms | 13 |
| Complexity | 372.7563 |
Chemical Identifiers
| CAS Number | 401571-90-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC#N)CN=C=S |
Product Overview
2-[2-(Isothiocyanatomethyl)phenyl]acetonitrile (CAS 401571-90-2), with molecular formula C10H8N2S and molecular weight 188.04082 g/mol. IUPAC: 2-[2-(isothiocyanatomethyl)phenyl]acetonitrile.
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.
View MSDS →
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