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Home > Pyridines > 1016776-89-8
1016776-89-8 | 2-(1H-1,2,4-triazol-1-yl)pyridine-4-carbothioamide
CAS No: 1016776-89-8 Catalog No: AG019MOD MDL No:MFCD09933631
Product Description
Catalog Number:
AG019MOD
Chemical Name:
2-(1H-1,2,4-triazol-1-yl)pyridine-4-carbothioamide
CAS Number:
1016776-89-8
Molecular Formula:
C8H7N5S
Molecular Weight:
205.2397
MDL Number:
MFCD09933631
IUPAC Name:
2-(1,2,4-triazol-1-yl)pyridine-4-carbothioamide
InChI:
InChI=1S/C8H7N5S/c9-8(14)6-1-2-11-7(3-6)13-5-10-4-12-13/h1-5H,(H2,9,14)
InChI Key:
PXGFGGIMMAZCHH-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccnc(c1)n1cncn1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.239g/mol
Monoisotopic Mass:
205.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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