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117174-84-2 | Thiourea, N-(3-chloro-4-methylphenyl)-
CAS No: 117174-84-2 Catalog No: AG000DUU MDL No:MFCD00060443
Product Description
Catalog Number:
AG000DUU
Chemical Name:
Thiourea, N-(3-chloro-4-methylphenyl)-
CAS Number:
117174-84-2
Molecular Formula:
C8H9ClN2S
Molecular Weight:
200.6885
MDL Number:
MFCD00060443
IUPAC Name:
(3-chloro-4-methylphenyl)thiourea
InChI:
InChI=1S/C8H9ClN2S/c1-5-2-3-6(4-7(5)9)11-8(10)12/h2-4H,1H3,(H3,10,11,12)
InChI Key:
WOUSOFAZMILXJW-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccc(c(c1)Cl)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.684g/mol
Monoisotopic Mass:
200.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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