2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro-
Basic information
- CAS
98705-35-2- Standard SMILES
CC1=CC=C(C(C)(C)C)SC(C(C)(C)C)C1- InChIKey
FCBOYJOSXPJDED-UHFFFAOYSA-N- Molecular formula
- C15H26S
- Average molar mass
- 238.4 g/mol
- Monoisotopic mass
- 238.175522
Names & identifiers
- Preferred name
- 2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro-
- IUPAC
- 2,7-ditert-butyl-4-methyl-2,3-dihydrothiepine
Names & synonyms
98705-35-22,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro-2,7-Di-tert-butylthiepin,4-methyl-2,3-dihydro-DTXSID109131172,7-Di-tert-butyl-4-methyl-2,3-dihydrothiepine
Database identifiers
- CAS
98705-35-2- PubChem CID
- 145336
- DTXSID
DTXSID10913117
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 307
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Compound notes
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