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89334-49-6 | Thiourea, N-(1H-benzimidazol-2-ylmethyl)-N'-(3-chlorophenyl)-
CAS No: 89334-49-6 Catalog No: AG003YDV MDL No:
Product Description
Catalog Number:
AG003YDV
Chemical Name:
Thiourea, N-(1H-benzimidazol-2-ylmethyl)-N'-(3-chlorophenyl)-
CAS Number:
89334-49-6
Molecular Formula:
C15H13ClN4S
Molecular Weight:
316.8085
IUPAC Name:
1-(1H-benzimidazol-2-ylmethyl)-3-(3-chlorophenyl)thiourea
InChI:
InChI=1S/C15H13ClN4S/c16-10-4-3-5-11(8-10)18-15(21)17-9-14-19-12-6-1-2-7-13(12)20-14/h1-8H,9H2,(H,19,20)(H2,17,18,21)
InChI Key:
PKLHUDGJJRIQJT-UHFFFAOYSA-N
SMILES:
S=C(Nc1cccc(c1)Cl)NCc1nc2c([nH]1)cccc2
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.055g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
316.807g/mol
Monoisotopic Mass:
316.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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