Basic information
- CAS
72462-72-7- Standard SMILES
CCOC(=O)CSc1c(C)c(C)cc(C)c1C- InChIKey
ZKFKXGRGPXNTAT-UHFFFAOYSA-N- Molecular formula
- C14H20O2S
- Average molar mass
- 252.37 g/mol
- Monoisotopic mass
- 252.11840105
Names & identifiers
- Preferred name
- Acetic acid, ((2,3,5,6-tetramethylphenyl)thio)-, ethyl ester
- IUPAC
- ethyl 2-(2,3,5,6-tetramethylphenyl)sulfanylacetate
Names & synonyms
BRN 2462324ACETIC ACID, ((2,3,5,6-TETRAMETHYLPHENYL)THIO)-, ETHYL ESTER((2,3,5,6-Tetramethylphenyl)thio)acetic acid ethyl ester72462-72-7DTXSID00222760RefChem:315879DTXCID30145251Ethyl [(2,3,5,6-tetramethylphenyl)sulfanyl]acetate
Database identifiers
- CAS
72462-72-7- PubChem CID
- 51582
- DTXSID
DTXSID00222760- Nikkaji
- J86.287H
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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