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828245-50-7 | 1H-Pyrazole-1-carbodithioic acid, 5-amino-4-cyano-
CAS No: 828245-50-7 Catalog No: AG004T3Z MDL No:
Product Description
Catalog Number:
AG004T3Z
Chemical Name:
1H-Pyrazole-1-carbodithioic acid, 5-amino-4-cyano-
CAS Number:
828245-50-7
Molecular Formula:
C5H4N4S2
Molecular Weight:
184.2421
IUPAC Name:
5-amino-4-cyanopyrazole-1-carbodithioic acid
InChI:
InChI=1S/C5H4N4S2/c6-1-3-2-8-9(4(3)7)5(10)11/h2H,7H2,(H,10,11)
InChI Key:
UYXHZPWJNFAHTK-UHFFFAOYSA-N
SMILES:
Nc1c(cnn1C(=S)S)C#N
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.988g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
183.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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