2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)ethanethioamide - CAS 1016852-31-5
Catalog: |
BB066206 |
Product Name: |
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)ethanethioamide |
CAS: |
1016852-31-5 |
Synonyms: |
2-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}ethanethioamide; 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethanethioamide |
IUPAC Name: | 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethanethioamide |
Molecular Weight: | 208.24 |
Molecular Formula: | C8H8N4OS |
Canonical SMILES: | C1=CC2=NN(C(=O)N2C=C1)CC(=S)N |
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 |
Complexity: | 385 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.04188206 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.04188206 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 94Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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