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89334-48-5 | Thiourea, N-(1H-benzimidazol-2-ylmethyl)-N'-(4-methylphenyl)-
CAS No: 89334-48-5 Catalog No: AG003ZGS MDL No:
Product Description
Catalog Number:
AG003ZGS
Chemical Name:
Thiourea, N-(1H-benzimidazol-2-ylmethyl)-N'-(4-methylphenyl)-
CAS Number:
89334-48-5
Molecular Formula:
C16H16N4S
Molecular Weight:
296.3900
IUPAC Name:
1-(1H-benzimidazol-2-ylmethyl)-3-(4-methylphenyl)thiourea
InChI:
InChI=1S/C16H16N4S/c1-11-6-8-12(9-7-11)18-16(21)17-10-15-19-13-4-2-3-5-14(13)20-15/h2-9H,10H2,1H3,(H,19,20)(H2,17,18,21)
InChI Key:
SNNFENYRVDCBTD-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc(cc1)C)NCc1nc2c([nH]1)cccc2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
296.392g/mol
Monoisotopic Mass:
296.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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