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78772-41-5 | Hydrazinecarbothioamide,2-[2-(1H-benzimidazol-2-yl)ethyl]-N-(2-methylphenyl)-
CAS No: 78772-41-5 Catalog No: AG0055D0 MDL No:
Product Description
Catalog Number:
AG0055D0
Chemical Name:
Hydrazinecarbothioamide,2-[2-(1H-benzimidazol-2-yl)ethyl]-N-(2-methylphenyl)-
CAS Number:
78772-41-5
Molecular Formula:
C17H19N5S
Molecular Weight:
325.4313
IUPAC Name:
1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-(2-methylphenyl)thiourea
InChI:
InChI=1S/C17H19N5S/c1-12-6-2-3-7-13(12)21-17(23)22-18-11-10-16-19-14-8-4-5-9-15(14)20-16/h2-9,18H,10-11H2,1H3,(H,19,20)(H2,21,22,23)
InChI Key:
KZSRBZAPQQHVGC-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1C)NNCCc1nc2c([nH]1)cccc2
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.136g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
325.434g/mol
Monoisotopic Mass:
325.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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