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Basic information
- Standard SMILES
C(#Cc1nccs1)CC1CCCCC1- InChIKey
XWXHAXJRNLCFJS-UHFFFAOYSA-N- Molecular formula
- C12H15NS
- Average molar mass
- 205.32 g/mol
- Monoisotopic mass
- 205.09252066
Names & identifiers
- Preferred name
- 2-(3-Cyclohexyl-1-propynyl)-1,3-thiazole
- IUPAC
- 2-(3-cyclohexylprop-1-ynyl)-1,3-thiazole
Names & synonyms
2-(3-cyclohexyl-1-propynyl)-1,3-thiazoleSCHEMBL4861917XWXHAXJRNLCFJS-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 9855804
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Related reactions
4 records
Compound notes
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