4-[ (4-Chlorophenyl) thio]benzaldehyde

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CAS Number

137736-07-3

MDL Number

MFCD04126521

Smiles

S (c1ccc (C=O) cc1) c1ccc (Cl) cc1

Chemical Information

4-[(4-Chlorophenyl)sulfanyl]benzaldehyde

CAS Number	137736-07-3
PubChem CID	4307534
IUPAC Name	4-(4-chlorophenyl)sulfanylbenzaldehyde
Molecular Formula	C13H9ClOS
Molecular Weight	248.73
XLogP	4.2
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	218

SMILES

C1=CC(=CC=C1C=O)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H9ClOS/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-9H

InChIKey

FIARHGLPZDXHLJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 137736-07-3

CID: 4307534

Formula: C13H9ClOS

MW: 248.73

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.73
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	248.0062638
Monoisotopic Mass	248.0062638
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	218
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
Compound Is Canonicalized	Yes

Catalog	Name
OR25197-01	2-[ (4-Chlorophenyl) thio]benzaldehyde
OR1094960-01	4- ((cyclopropylmethyl) thio) benzaldehyde
PC1022151-01	4-[ (4-Fluorophenyl) thio]benzaldehyde
OR1054711	4- ((4-Chlorophenyl) thio) aniline
OR1093915-01	4-[ (4-Chlorophenyl) thio]benzoic acid
OR96646-01	2- ((4-Chlorophenyl) ethynyl) benzaldehyde
OR1079941-01	4-[[ (4-Chlorophenyl) thio]methyl]benzonitrile
OR29022	3-[ (4-chlorophenyl) thio]propanenitrile
OR1079951-01	1-[ (4-Chlorophenyl) thio]cyclopentanecarbonitrile
OR21711	2-[ (4-chlorophenyl) thio]nicotinamide

Catalog	Name
sc-225864	3- (4-Chlorophenyl) benzaldehyde
TPL0335-01	4- (2-CHLOROPHENYL) BENZALDEHYDE
FC127914	[ (4-Chlorophenyl) thio]acetonitrile
FC20353	A- (4-Chlorophenyl) thio urea
WCC53925-01	2-[ (4-Chlorophenyl) methyl]benzaldehyde
sc-274088	2-[ (4-chlorophenyl) thio]ethanamine
FC117101-01	2-[ (4-Chlorophenyl) thio]aniline
sc-263161A	Ethyl 2-[ (4-chlorophenyl) thio]acetate
sc-274086	2-[ (4-Chlorophenyl) thio]-2-methylpropanal
sc-316673	4-Methoxy-3-{[ (4-methylphenyl) thio]-methyl}benzaldehyde