Basic information
- Standard SMILES
CCC(=O)c1ccc2c(c1)CC(C)CS2- InChIKey
YWEXHNQRRQOAFS-UHFFFAOYSA-N- Molecular formula
- C13H16OS
- Average molar mass
- 220.33 g/mol
- Monoisotopic mass
- 220.0921863
Names & identifiers
- Preferred name
- 6-Propionyl-3-methyl thiochromane
- IUPAC
- 1-(3-methyl-3,4-dihydro-2H-thiochromen-6-yl)propan-1-one
Names & synonyms
6-propionyl-3-methyl thiochromaneYWEXHNQRRQOAFS-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 54530528
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Related reactions
2 records
Compound notes
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