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78797-04-3 | [2,2'-Bipyridine]-6-carbothioamide,N,N-dimethyl-
CAS No: 78797-04-3 Catalog No: AG005DHJ MDL No:
Product Description
Catalog Number:
AG005DHJ
Chemical Name:
[2,2'-Bipyridine]-6-carbothioamide,N,N-dimethyl-
CAS Number:
78797-04-3
Molecular Formula:
C13H13N3S
Molecular Weight:
243.3274
IUPAC Name:
N,N-dimethyl-6-pyridin-2-ylpyridine-2-carbothioamide
InChI:
InChI=1S/C13H13N3S/c1-16(2)13(17)12-8-5-7-11(15-12)10-6-3-4-9-14-10/h3-9H,1-2H3
InChI Key:
LYYIAEHXIMCXNS-UHFFFAOYSA-N
SMILES:
CN(C(=S)c1cccc(n1)c1ccccn1)C
NSC Number:
315632
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.328g/mol
Monoisotopic Mass:
243.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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