Basic information
- CAS
55749-49-0- Standard SMILES
CCCCSc1cc(C)nc(SCCCC)n1- InChIKey
OTGSLOAEZCKWMF-UHFFFAOYSA-N- Molecular formula
- C13H22N2S2
- Average molar mass
- 270.5 g/mol
- Monoisotopic mass
- 270.12244106
Names & identifiers
- Preferred name
- 2,4-Bis(butylsulfanyl)-6-methylpyrimidine
- IUPAC
- 2,4-bis(butylsulfanyl)-6-methylpyrimidine
Names & synonyms
55749-49-02,4-bis(butylsulfanyl)-6-methylpyrimidineNSC222783DTXSID80310215NSC-222783
Database identifiers
- CAS
55749-49-0- PubChem CID
- 312652
- DTXSID
DTXSID80310215
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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