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13096-23-6 | Glycine, N-(aminothioxomethyl)-, 2-phenylhydrazide
CAS No: 13096-23-6 Catalog No: AG000V6I MDL No:
Product Description
Catalog Number:
AG000V6I
Chemical Name:
Glycine, N-(aminothioxomethyl)-, 2-phenylhydrazide
CAS Number:
13096-23-6
Molecular Formula:
C9H12N4OS
Molecular Weight:
224.2828
IUPAC Name:
[2-oxo-2-(2-phenylhydrazinyl)ethyl]thiourea
InChI:
InChI=1S/C9H12N4OS/c10-9(15)11-6-8(14)13-12-7-4-2-1-3-5-7/h1-5,12H,6H2,(H,13,14)(H3,10,11,15)
InChI Key:
NFEWJLBYPOPNGY-UHFFFAOYSA-N
SMILES:
O=C(CNC(=S)N)NNc1ccccc1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.073g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
224.282g/mol
Monoisotopic Mass:
224.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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