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89334-65-6 | Thiourea, N-(1H-benzimidazol-2-ylmethyl)-N'-(4-methoxyphenyl)-
CAS No: 89334-65-6 Catalog No: AG0086RS MDL No:
Product Description
Catalog Number:
AG0086RS
Chemical Name:
Thiourea, N-(1H-benzimidazol-2-ylmethyl)-N'-(4-methoxyphenyl)-
CAS Number:
89334-65-6
Molecular Formula:
C16H16N4OS
Molecular Weight:
312.3894
IUPAC Name:
1-(1H-benzimidazol-2-ylmethyl)-3-(4-methoxyphenyl)thiourea
InChI:
InChI=1S/C16H16N4OS/c1-21-12-8-6-11(7-9-12)18-16(22)17-10-15-19-13-4-2-3-5-14(13)20-15/h2-9H,10H2,1H3,(H,19,20)(H2,17,18,22)
InChI Key:
MHIVIHXOEDALHW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=S)NCc1nc2c([nH]1)cccc2
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.104g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
312.391g/mol
Monoisotopic Mass:
312.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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