2,7-Bis(methylsulfanyl)-[1,3]thiazolo[5,4-d]pyrimidine
Basic information
- CAS
73109-36-1- Standard SMILES
CSc1nc2c(SC)ncnc2s1- InChIKey
XDGLDXCHEPSRJS-UHFFFAOYSA-N- Molecular formula
- C7H7N3S3
- Average molar mass
- 229.4 g/mol
- Monoisotopic mass
- 228.98021076
Names & identifiers
- Preferred name
- 2,7-Bis(methylsulfanyl)-[1,3]thiazolo[5,4-d]pyrimidine
- IUPAC
- 2,7-bis(methylsulfanyl)-[1,3]thiazolo[5,4-d]pyrimidine
Names & synonyms
73109-36-12,7-bis(methylsulfanyl)-[1,3]thiazolo[5,4-d]pyrimidineNSC343781DTXSID00319341NSC-3437812,7-Bis(methylsulfanyl)[1,3]thiazolo[5,4-d]pyrimidine
Database identifiers
- CAS
73109-36-1- PubChem CID
- 335304
- DTXSID
DTXSID00319341
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
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Compound notes
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