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89334-45-2 | Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N'-(4-methylphenyl)-
CAS No: 89334-45-2 Catalog No: AG0086S1 MDL No:
Product Description
Catalog Number:
AG0086S1
Chemical Name:
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N'-(4-methylphenyl)-
CAS Number:
89334-45-2
Molecular Formula:
C17H18N4S
Molecular Weight:
310.4166
IUPAC Name:
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)thiourea
InChI:
InChI=1S/C17H18N4S/c1-12-6-8-13(9-7-12)19-17(22)18-11-10-16-20-14-4-2-3-5-15(14)21-16/h2-9H,10-11H2,1H3,(H,20,21)(H2,18,19,22)
InChI Key:
WVAYHYWOIQHQSH-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc(cc1)C)NCCc1nc2c([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:
310.125g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
310.419g/mol
Monoisotopic Mass:
310.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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