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Home > Pyridines > 1016852-31-5
1016852-31-5 | 2-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}ethanethioamide
CAS No: 1016852-31-5 Catalog No: AG01A8TH MDL No:MFCD09950556
Product Description
Catalog Number:
AG01A8TH
Chemical Name:
2-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}ethanethioamide
CAS Number:
1016852-31-5
Molecular Formula:
C8H8N4OS
Molecular Weight:
208.2403
MDL Number:
MFCD09950556
IUPAC Name:
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethanethioamide
InChI:
InChI=1S/C8H8N4OS/c9-6(14)5-12-8(13)11-4-2-1-3-7(11)10-12/h1-4H,5H2,(H2,9,14)
InChI Key:
ZEYBCNRGCKVFNL-UHFFFAOYSA-N
SMILES:
NC(=S)Cn1nc2n(c1=O)cccc2
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.239g/mol
Monoisotopic Mass:
208.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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