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77436-54-5 | Hydrazinecarbothioamide, N-(1H-benzimidazol-2-ylmethyl)-
CAS No: 77436-54-5 Catalog No: AG005BAO MDL No:
Product Description
Catalog Number:
AG005BAO
Chemical Name:
Hydrazinecarbothioamide, N-(1H-benzimidazol-2-ylmethyl)-
CAS Number:
77436-54-5
Molecular Formula:
C9H11N5S
Molecular Weight:
221.2821
IUPAC Name:
1-amino-3-(1H-benzimidazol-2-ylmethyl)thiourea
InChI:
InChI=1S/C9H11N5S/c10-14-9(15)11-5-8-12-6-3-1-2-4-7(6)13-8/h1-4H,5,10H2,(H,12,13)(H2,11,14,15)
InChI Key:
WBYKHKMYFBMPLO-UHFFFAOYSA-N
SMILES:
NNC(=S)NCc1nc2c([nH]1)cccc2
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
221.282g/mol
Monoisotopic Mass:
221.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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