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89334-44-1 | Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N'-(3-chlorophenyl)-
CAS No: 89334-44-1 Catalog No: AG003YDW MDL No:
Product Description
Catalog Number:
AG003YDW
Chemical Name:
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N'-(3-chlorophenyl)-
CAS Number:
89334-44-1
Molecular Formula:
C16H15ClN4S
Molecular Weight:
330.8351
IUPAC Name:
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(3-chlorophenyl)thiourea
InChI:
InChI=1S/C16H15ClN4S/c17-11-4-3-5-12(10-11)19-16(22)18-9-8-15-20-13-6-1-2-7-14(13)21-15/h1-7,10H,8-9H2,(H,20,21)(H2,18,19,22)
InChI Key:
SQYLKPMYVNEVIR-UHFFFAOYSA-N
SMILES:
S=C(Nc1cccc(c1)Cl)NCCc1nc2c([nH]1)cccc2
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.071g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
330.834g/mol
Monoisotopic Mass:
330.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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