2-{[(4-chlorophenyl)methyl]sulfanyl}aniline

2-{[(4-chlorophenyl)methyl]sulfanyl}aniline

CAS: 43092-84-8

Formula: C13H12ClNS

SMILES: NC1=C(SCC2=CC=C(Cl)C=C2)C=CC=C1

IUPAC: 2-{[(4-chlorophenyl)methyl]sulfanyl}aniline

InChI: InChI=1S/C13H12ClNS/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-8H,9,15H2

Composition: C (62.52%), H (4.84%), Cl (14.19%), N (5.61%), S (12.84%)

Molar Mass: 249.76

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	249.0378983
Formal Charge	0
FSP3	0.08
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	ICMGQEPYBCOVEA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.98
Topological Polar Surface Area	26.02
Polarizability	27.81
Ring Count	2
Rotatable Bond Count	3

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