Basic information
- Standard SMILES
CC1(C)CCSc2ccc(C(=O)Oc3ccccc3C(=O)O)cc21- InChIKey
QNKVSDBARVGAPV-UHFFFAOYSA-N- Molecular formula
- C19H18O4S
- Average molar mass
- 342.4 g/mol
Names & identifiers
- Preferred name
- (4,4-Dimethyl-6-thiochromanoyloxy)benzoic acid
- IUPAC
- 2-(4,4-dimethyl-2,3-dihydrothiochromene-6-carbonyl)oxybenzoic acid
Names & synonyms
SCHEMBL9185721QNKVSDBARVGAPV-UHFFFAOYSA-N(4,4-dimethyl-6-thiochromanoyloxy)benzoic acid
Database identifiers
- PubChem CID
- 19834232
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 490
Related reactions
1 records
Compound notes
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