1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole
Basic information
- CAS
252-03-9- Standard SMILES
c1nn2cnnc2s1- InChIKey
GNSPINPIWPZMKW-UHFFFAOYSA-N- Molecular formula
- C3H2N4S
- Average molar mass
- 126.14 g/mol
- Monoisotopic mass
- 126.00001725
Names & identifiers
- Preferred name
- 1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole
- IUPAC
- [1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Names & synonyms
1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole252-03-9DTXSID403292021,2,4-Triazolo(3,4-b)(1,3,4)thiadiazoleRefChem:1052078DTXCID40280304[1,2,4]Triazolo[3,4-b][1,3,4]thiadiazoleNSC100139NCIOpen2_001975SCHEMBL1924714SCHEMBL2442121SCHEMBL2442122
Database identifiers
- CAS
252-03-9- PubChem CID
- 418344
- DTXSID
DTXSID40329202- Nikkaji
- J1.051.598J
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 97.3
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…