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150799-81-8 | 3-Pyridinecarbonitrile, 2,4-diamino-1,6-dihydro-6-thioxo-
CAS No: 150799-81-8 Catalog No: AG001MUQ MDL No:
Product Description
Catalog Number:
AG001MUQ
Chemical Name:
3-Pyridinecarbonitrile, 2,4-diamino-1,6-dihydro-6-thioxo-
CAS Number:
150799-81-8
Molecular Formula:
C6H6N4S
Molecular Weight:
166.2036
IUPAC Name:
2,4-diamino-6-sulfanylidene-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C6H6N4S/c7-2-3-4(8)1-5(11)10-6(3)9/h1H,(H5,8,9,10,11)
InChI Key:
HPQOEWKOIZQUSL-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)cc(=S)[nH]c1N
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
166.202g/mol
Monoisotopic Mass:
166.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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