[1,2,4]triazolo[4,3-a]pyrimidine-3(2H)-thione
Basic information
- CAS
7496-44-8- Standard SMILES
S=c1[nH]nc2ncccn12- InChIKey
SBSUJROHJRDMQY-UHFFFAOYSA-N- Molecular formula
- C5H4N4S
- Average molar mass
- 152.18 g/mol
- Monoisotopic mass
- 152.01566732
Names & identifiers
- Preferred name
- [1,2,4]triazolo[4,3-a]pyrimidine-3(2H)-thione
- IUPAC
- 2H-[1,2,4]triazolo[4,3-a]pyrimidine-3-thione
Names & synonyms
7496-44-8[1,2,4]triazolo[4,3-a]pyrimidine-3(2H)-thione[1,2,4]triazolo[4,3-a]pyrimidine-3-thiolNSC405280SCHEMBL8646557DTXSID90397936AKOS022420549NSC-405280EN300-37002
Database identifiers
- CAS
7496-44-8- PubChem CID
- 3915729
- DTXSID
DTXSID90397936
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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