Basic information
- CAS
72462-76-1- Standard SMILES
CCOC(=O)C(CC)Sc1c(C)c(C)cc(C)c1C- InChIKey
WOIDZQLOMMXDKB-UHFFFAOYSA-N- Molecular formula
- C16H24O2S
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.14970118
Names & identifiers
- Preferred name
- Butyric acid, 2-((2,3,5,6-tetramethylphenyl)thio)-, ethyl ester
- IUPAC
- ethyl 2-(2,3,5,6-tetramethylphenyl)sulfanylbutanoate
Names & synonyms
BRN 24661262-((2,3,5,6-Tetramethylphenyl)thio)butyric acid ethyl ester72462-76-1BUTYRIC ACID, 2-((2,3,5,6-TETRAMETHYLPHENYL)THIO)-, ETHYL ESTERRefChem:331224ethyl 2-[(2,3,5,6-tetramethylphenyl)sulfanyl]butanoateDTXSID80993269
Database identifiers
- CAS
72462-76-1- PubChem CID
- 51584
- DTXSID
DTXSID80993269- Nikkaji
- J67.413C
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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