Basic information
- CAS
55749-27-4- Standard SMILES
CCCCSc1nc(C)cc(C)n1- InChIKey
WBFMKGRUVHRHBZ-UHFFFAOYSA-N- Molecular formula
- C10H16N2S
- Average molar mass
- 196.31 g/mol
- Monoisotopic mass
- 196.10341969
Names & identifiers
- Preferred name
- 2-(Butylsulfanyl)-4,6-dimethylpyrimidine
- IUPAC
- 2-butylsulfanyl-4,6-dimethylpyrimidine
Names & synonyms
2-(butylsulfanyl)-4,6-dimethylpyrimidine55749-27-42-butylsulfanyl-4,6-dimethylpyrimidine2-butylthio-4,6-dimethylpyrimidineNSC38648SCHEMBL425170DTXSID80284720NSC-38648AKOS003653324ST51026016
Database identifiers
- CAS
55749-27-4- PubChem CID
- 236288
- DTXSID
DTXSID80284720
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 131
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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