N- (3,4-Dichlorophenyl) thiourea

CAT: 0127-OR28518Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR28518Size:5 g

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CAS Number

19250-09-0

MDL Number

MFCD00004935

Purity

=95%

Smiles

NC(=S)Nc1ccc(Cl)c(Cl)c1

Chemical Information

N-(3,4-Dichlorophenyl)thiourea

structure given in first source; used for studying the urea-facilitated transport system in the frog

CAS Number	19250-09-0
PubChem CID	710776
IUPAC Name	(3,4-dichlorophenyl)thiourea
Molecular Formula	C7H6Cl2N2S
Molecular Weight	221.11
XLogP	3.2
Topological Polar Surface Area	70.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	177

SMILES

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

InChI

InChI=1S/C7H6Cl2N2S/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)

InChIKey

CCNCITSJXCSXJY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19250-09-0

CID: 710776

Formula: C7H6Cl2N2S

MW: 221.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.11
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	219.9628748
Monoisotopic Mass	219.9628748
Topological Polar Surface Area	70.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	177
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
OR29857-01	N- (2,4-Dichlorophenyl) thiourea
OR1020786	1- (2,3-Dichlorophenyl) -2-thiourea
OR10012-01	1- (3,5-Dichlorophenyl) -2-thiourea
OR29939	N- (3,5-dichlorophenyl) -N'-[ (2,5-dichloro-3-pyridyl) carbonyl]thiourea
OR1037046	N- (3,4-Dichlorophenyl) pivalamide
OR1078820-01	N- (3,4-Dichlorophenyl) propionamide
OR1013976-01	N- (3,4-Dichlorophenyl) Octanamide
OR28467	N- (4-propylphenyl) thiourea
OR21039	N- (3-Methoxypropyl) thiourea
OR111007	2- (3,4-Dichlorophenyl) -N-methylacetamide

Catalog	Name
sc-222537	1- (3,4-Dichlorophenyl) -2-thiourea
ASA66458	1- (3,4-dichlorophenyl) -3- (4-methylbenzoyl) thiourea
YDB33286-01	3-Amino-3-benzyl-1- (3,4-dichlorophenyl) thiourea
CWB51560-01	[1- (2,4-Dichlorophenyl) ethyl]thiourea
sc-281772	1- (2,3-Dichlorophenyl) -2-thiourea
CWB54909-01	3-Amino-1-[2- (2,4-dichlorophenyl) ethyl]thiourea
CWB58489-01	3-Amino-1-[1- (2,4-dichlorophenyl) ethyl]thiourea
sc-279513	N- (2,5-Dichlorophenyl) thiourea
IKB09183-01	(3,4-Difluorophenyl) thiourea
QCA06952-01	(3,4-Dimethoxyphenyl) thiourea