Basic information
- CAS
1215727-62-0- Standard SMILES
CC#N.Cc1nc2nc(=S)[nH]n2c(C)c1C- InChIKey
FOUCHMLWRUVHAQ-UHFFFAOYSA-N- Molecular formula
- C10H13N5S
- Average molar mass
- 235.31 g/mol
- Monoisotopic mass
- 235.08916661
Names & identifiers
- Preferred name
- acetonitrile;5,6,7-trimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione
- IUPAC
- acetonitrile;5,6,7-trimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione
Names & synonyms
AKOS024395777
Database identifiers
- CAS
1215727-62-0- PubChem CID
- 90484591
Properties
Computed structural properties
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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