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89334-42-9 | Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N'-phenyl-
CAS No: 89334-42-9 Catalog No: AG003ZEV MDL No:
Product Description
Catalog Number:
AG003ZEV
Chemical Name:
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N'-phenyl-
CAS Number:
89334-42-9
Molecular Formula:
C16H16N4S
Molecular Weight:
296.3900
IUPAC Name:
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-phenylthiourea
InChI:
InChI=1S/C16H16N4S/c21-16(18-12-6-2-1-3-7-12)17-11-10-15-19-13-8-4-5-9-14(13)20-15/h1-9H,10-11H2,(H,19,20)(H2,17,18,21)
InChI Key:
BIMGFUNUMPPAMB-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1)NCCc1nc2c([nH]1)cccc2
Properties
Complexity:
343
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:
4
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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