4-(Methylsulfanyl)-2h-[1,2,3]triazolo[4,5-c]pyridine
Basic information
- CAS
36258-85-2- Standard SMILES
CSc1nccc2n[nH]nc12- InChIKey
XVOIQASCHWHJFX-UHFFFAOYSA-N- Molecular formula
- C6H6N4S
- Average molar mass
- 166.21 g/mol
- Monoisotopic mass
- 166.03131738
Names & identifiers
- Preferred name
- 4-(Methylsulfanyl)-2h-[1,2,3]triazolo[4,5-c]pyridine
- IUPAC
- 4-methylsulfanyl-2H-triazolo[4,5-c]pyridine
Names & synonyms
36258-85-24-(Methylthio)-2H-[1,2,3]triazolo[4,5-c]pyridine4-(methylsulfanyl)-2h-[1,2,3]triazolo[4,5-c]pyridineNSC145920DTXSID10301696NSC-145920
Database identifiers
- CAS
36258-85-2- PubChem CID
- 286763
- DTXSID
DTXSID10301696
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…