α- (4-Chlorophenyl) thiourea

CAT: 0024-sc-213194Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-213194Size:250 mg

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CAS Number

3696-23-9

Chemical Information

4-Chlorophenyl-2-thiourea

CAS Number	3696-23-9
PubChem CID	735843
IUPAC Name	(4-chlorophenyl)thiourea
Molecular Formula	C7H7ClN2S
Molecular Weight	186.66
XLogP	2.4
Topological Polar Surface Area	70.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	143

SMILES

C1=CC(=CC=C1NC(=S)N)Cl

InChI

InChI=1S/C7H7ClN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)

InChIKey

XVEFWRUIYOXUGG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3696-23-9

CID: 735843

Formula: C7H7ClN2S

MW: 186.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.66
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	186.0018471
Monoisotopic Mass	186.0018471
Topological Polar Surface Area	70.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	143
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
sc-276187	(3-chlorophenyl) thiourea
sc-335190	2-Chlorophenyl-thiourea
sc-281206	1- (4-Chlorophenyl) -3-phenyl-2-thiourea
sc-302362	1- (4-Chlorophenyl) -3-[imino (nitroamino) methyl]-thiourea
sc-302362A	1- (4-Chlorophenyl) -3-[imino (nitroamino) methyl]-thiourea
sc-267614	(4-Methoxyphenyl) thiourea
sc-267193	(4-Acetylphenyl) thiourea
sc-267349	(4-Carboxyphenyl) thiourea
sc-232731	(4-Fluorophenyl) thiourea
sc-232627	(4-Cyanophenyl) thiourea

Catalog	Name
C5029-53	A- (4-Chlorophenyl) thiourea
MBS6061329-01	a-(4-Chlorophenyl)thiourea
HEA77495	1- (4-chlorophenyl) -3- (2-chlorophenyl) methyl) thiourea
267254-01	1,3-Bis (4-chlorophenyl) thiourea
IFA47667	1- (4-chlorophenyl) -3- (4-methylbenzoyl) thiourea
239908-01	N- (4-Chlorophenyl) thiourea 98+% (HPLC)
BUP23378-01	Thiourea, N'- (4-chlorophenyl) -N, N-dimethyl-
OR1020841	1- (4-Chlorophenyl) -3-phenyl-2-thiourea
OR21047	N- (4-chlorophenyl) -N'- (2,6-dichloroisonicotinoyl) thiourea
ALB70183	1- (2-chlorophenyl) methyl) -3- (4-nitrophenyl) thiourea