Basic information
- CAS
60527-03-9- Standard SMILES
c1ncc2snnc2n1- InChIKey
MFWNOJCSZKJNPT-UHFFFAOYSA-N- Molecular formula
- C4H2N4S
- Average molar mass
- 138.15 g/mol
- Monoisotopic mass
- 138.00001725
Names & identifiers
- Preferred name
- 1,2,3-Thiadiazolo[4,5-D]pyrimidine
- IUPAC
- thiadiazolo[4,5-d]pyrimidine
- English name
- 1,2,3-Thiadiazolo[4,5-d]pyrimidine (9CI)
- Molecular formula
- C4H2N4S
- Molecular weight
- 138.15
Names & synonyms
60527-03-91,2,3-THIADIAZOLO[4,5-D]PYRIMIDINEpyrimidothiadiazoleCHEMBL1870629SCHEMBL15677262DTXSID20663934[1,2,3]Thiadiazolo[4,5-d]pyrimidineNCGC00186519-01NCGC00186519-02DB-2590871,2,3-Thiadiazolo[4,5-d]pyrimidine (9CI)
Database identifiers
- CAS
60527-03-9- PubChem CID
- 45080296
- DTXSID
DTXSID20663934- ChEMBL
CHEMBL1870629
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 109
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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