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4949-85-3 | 1-(2,5-Dichlorophenyl)thiourea
CAS No: 4949-85-3 Catalog No: AG003B57 MDL No:MFCD00041154
Product Description
Catalog Number:
AG003B57
Chemical Name:
1-(2,5-Dichlorophenyl)thiourea
CAS Number:
4949-85-3
Molecular Formula:
C7H6Cl2N2S
Molecular Weight:
221.1069
MDL Number:
MFCD00041154
IUPAC Name:
(2,5-dichlorophenyl)thiourea
InChI:
InChI=1S/C7H6Cl2N2S/c8-4-1-2-5(9)6(3-4)11-7(10)12/h1-3H,(H3,10,11,12)
InChI Key:
UQCOANNCPUOZNW-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1cc(Cl)ccc1Cl
NSC Number:
635820
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.963g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.099g/mol
Monoisotopic Mass:
219.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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