Methyl 4-methyl-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphtoylthio)benzoate

HCID 13633563

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

Related reactions

6 records

Compound notes

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