Basic information
- CAS
827024-64-6- Standard SMILES
Cc1cc(=O)oc2cc(S)c(C(C)(C)C)cc12- InChIKey
YTOBCFKWRZLCQV-UHFFFAOYSA-N- Molecular formula
- C14H16O2S
- Average molar mass
- 248.34 g/mol
- Monoisotopic mass
- 248.08710092
Names & identifiers
- Preferred name
- 6-tert-Butyl-4-methyl-7-sulfanyl-2H-1-benzopyran-2-one
- IUPAC
- 6-tert-butyl-4-methyl-7-sulfanylchromen-2-one
Names & synonyms
827024-64-66-tert-Butyl-4-methyl-7-sulfanyl-2H-1-benzopyran-2-oneDTXSID60837152
Database identifiers
- CAS
827024-64-6- PubChem CID
- 71417822
- DTXSID
DTXSID60837152
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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