Basic information
- CAS
104224-51-3- Standard SMILES
COC(=O)c1ccc(C)c(SC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)c1- InChIKey
MFDPVINTSGUPRV-UHFFFAOYSA-N- Molecular formula
- C24H28O3S
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.17591576
Names & identifiers
- Preferred name
- Methyl 4-methyl-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphtoylthio)benzoate
- IUPAC
- methyl 4-methyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)sulfanylbenzoate
Names & synonyms
MFDPVINTSGUPRV-UHFFFAOYSA-NDTXSID801115818methyl 4-methyl-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphtoylthio)benzoate104224-51-3methyl 4-methyl-3-(5, 6, 7, 8-tetrahydro-5, 5, 8, 8-tetramethyl-2-naphtoylthio)-benzoatemethyl 4-methyl-3-(5, 6, 7, 8-tetrahydro-5, 5, 8, 8-tetramethyl-2-naphtoylthio)benzoatemethyl 4-methyl-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphtoylthio)-benzoateMethyl 4-methyl-3-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)sulfanyl]benzoateMethyl 4-methyl-3-[[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl]thio]benzoate
Database identifiers
- CAS
104224-51-3- PubChem CID
- 13633563
- DTXSID
DTXSID801115818
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 597
Related reactions
6 records
Compound notes
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