2-[ (4-Chlorophenyl) thio]aniline

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CAT#:0926-FC117101-01Size:0.1 g

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CAS Number

37750-29-1

Synonyms

2-Amino-4'-chlorodiphenylsulfide

MDL Number

MFCD00467319

Smiles

C1=CC=C (C (=C1) N) SC2=CC=C (C=C2) Cl

Molecular Formula

C12H10ClNS

Molecular Weight

235.73 g/mol

Controlled

Chemical Information

Benzenamine, 2-[(4-chlorophenyl)thio]-

CAS Number	37750-29-1
PubChem CID	361297
IUPAC Name	2-(4-chlorophenyl)sulfanylaniline
Molecular Formula	C12H10ClNS
Molecular Weight	235.73
XLogP	3.9
Topological Polar Surface Area	51.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	192

SMILES

C1=CC=C(C(=C1)N)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H10ClNS/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8H,14H2

InChIKey

JZLUOCTZACJYNR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 37750-29-1

CID: 361297

Formula: C12H10ClNS

MW: 235.73

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.73
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	235.0222482
Monoisotopic Mass	235.0222482
Topological Polar Surface Area	51.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	192
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
EAA72627-01	4-[ (2-Chlorophenyl) sulfanyl]aniline
BUB17085-01	4-Chloro-2- (4-chlorophenyl) aniline
PLC94412-01	4-Chloro-2- (2-chlorophenyl) aniline
QMB07766	2-Bromo-4-[ (trifluoromethyl) thio]aniline
FC127914	[ (4-Chlorophenyl) thio]acetonitrile
FC20353	A- (4-Chlorophenyl) thio urea
WKC78405-01	4-Chloro-2- (3-chlorophenyl) aniline
HAA14668	4- ((4-Chlorophenyl) sulfonyl) aniline
EAA75061-01	N-[ (4-Chlorophenyl) methyl]aniline
FTA28008-01	3-[ (4-Chlorophenyl) methoxy]aniline

Catalog	Name
OR1054711	4- ((4-Chlorophenyl) thio) aniline
OR91484	2- ((4-Chlorophenyl) thio) aniline
OR25176	2- ({2-[ (4-chlorophenyl) sulphonyl]ethyl}thio) aniline
PC1095K-01	4-[ (Trifluoromethyl) thio]aniline
OR1004278-01	4-[ (4-Methylphenyl) thio]aniline
268504-01	A- (4-Chlorophenyl) thio urea
OR1083124	4-[ (4-Chlorophenyl) thio]benzaldehyde
OR1043242-01	4- ((4-Chlorophenyl) sulfonyl) aniline
sc-348614A	4-[ (4-chlorophenyl) sulfanyl]aniline
sc-348703A	4-[ (difluoromethyl) thio]aniline hydrochloride