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Basic information
- Standard SMILES
CCCCCCSc1nn2c(=O)cc(C)nc2s1- InChIKey
MKIGXHRPWMXOCR-UHFFFAOYSA-N- Molecular formula
- C12H17N3OS2
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.08130452
Names & identifiers
- Preferred name
- 2-hexylthio-7-methyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one
- IUPAC
- 2-hexylsulfanyl-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Names & synonyms
SCHEMBL10373986MKIGXHRPWMXOCR-UHFFFAOYSA-N2-hexylthio-7-methyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one
Database identifiers
- PubChem CID
- 14100769
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 429
Related reactions
3 records
Compound notes
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