[(2-chlorophenyl)methyl]sulfanylcarbonitrile

[(2-chlorophenyl)methyl]sulfanylcarbonitrile

CAS: 2082-66-8

Formula: C8H6ClNS

SMILES: ClC1=CC=CC=C1CSC#N

IUPAC: {[(2-chlorophenyl)methyl]sulfanyl}carbonitrile

InChI: InChI=1S/C8H6ClNS/c9-8-4-2-1-3-7(8)5-11-6-10/h1-4H,5H2

Composition: C (52.32%), H (3.29%), Cl (19.30%), N (7.63%), S (17.46%)

Molar Mass: 183.65

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	182.9909481
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	BEQHMRYBIXNFTP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.46
Topological Polar Surface Area	23.79
Polarizability	18.82
Ring Count	1
Rotatable Bond Count	2

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