m-Chlorophenyl phenyl sulfide - PubChem Public Chemical Database

m-Chlorophenyl phenyl sulfide - Compound Summary (CID 97584)

Table of Contents

BioActivity Results

BioActivity Results:

Tested in BioAssays: All: 1 Inactive: 1
BioActivity Summary: This Compound

AID: 179 Source: DTP/NCI
NCI AIDS Antiviral Assay

Properties Computed from Structure:

Molecular Weight	220.71786 [g/mol]
Molecular Formula	C₁₂H₉ClS
XLogP3-AA	4.6
H-Bond Donor	0
H-Bond Acceptor	0
Rotatable Bond Count	2
Exact Mass	220.011349
MonoIsotopic Mass	220.011349
Topological Polar Surface Area	0
Heavy Atom Count	14
Formal Charge	0
Complexity	166
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

Descriptors Computed from Structure:

IUPAC Name: 1-chloro-3-phenylsulfanylbenzene
Canonical SMILES: C1=CC=C(C=C1)SC2=CC(=CC=C2)Cl
InChI: InChI=1S/C12H9ClS/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H

InChIKey: YNJLAXHIFOICPE-UHFFFAOYSA-N

Compound Information:

CID 97584

Create Date: 2005-03-26

Similar Compounds: 39 Links

Similar Conformers: 8128 Links View Conformers