Ethyl 2-[(4-tert-butylphenyl)methylsulfanyl]acetate
Basic information
- CAS
92595-31-8- Standard SMILES
CCOC(=O)CSCc1ccc(C(C)(C)C)cc1- InChIKey
RRYZLCLMLIAXOG-UHFFFAOYSA-N- Molecular formula
- C15H22O2S
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.13405111
Names & identifiers
- Preferred name
- Ethyl 2-[(4-tert-butylphenyl)methylsulfanyl]acetate
- IUPAC
- ethyl 2-[(4-tert-butylphenyl)methylsulfanyl]acetate
Names & synonyms
92595-31-8ethyl 2-[(4-tert-butylphenyl)methylsulfanyl]acetateNSC115084DTXSID50919072NSC-115084DS-010983Ethyl {[(4-tert-butylphenyl)methyl]sulfanyl}acetate
Database identifiers
- CAS
92595-31-8- PubChem CID
- 271502
- DTXSID
DTXSID50919072
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 250
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Compound notes
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