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113615-06-8 | Hydrazinecarbothioamide, 2-(5,6-diphenyl-1,2,4-triazin-3-yl)-
CAS No: 113615-06-8 Catalog No: AG000959 MDL No:
Product Description
Catalog Number:
AG000959
Chemical Name:
Hydrazinecarbothioamide, 2-(5,6-diphenyl-1,2,4-triazin-3-yl)-
CAS Number:
113615-06-8
Molecular Formula:
C16H14N6S
Molecular Weight:
322.3876
IUPAC Name:
[(5,6-diphenyl-1,2,4-triazin-3-yl)amino]thiourea
InChI:
InChI=1S/C16H14N6S/c17-15(23)20-22-16-18-13(11-7-3-1-4-8-11)14(19-21-16)12-9-5-2-6-10-12/h1-10H,(H3,17,20,23)(H,18,21,22)
InChI Key:
ZAUJWEMNKKVAIW-UHFFFAOYSA-N
SMILES:
NC(=S)NNc1nnc(c(n1)c1ccccc1)c1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
322.39g/mol
Monoisotopic Mass:
322.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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