Basic information
- CAS
83670-21-7- Standard SMILES
CC(C)(C)C1=CC=CC=C(C(C)(C)C)S1- InChIKey
QJDZGLJXRXAYHV-UHFFFAOYSA-N- Molecular formula
- C14H22S
- Average molar mass
- 222.39 g/mol
- Monoisotopic mass
- 222.14422188
Names & identifiers
- Preferred name
- 2,7-Di-tert-butylthiepin
- IUPAC
- 2,7-ditert-butylthiepine
- English name
- 2,7-ditert-butylthiepine
- Molecular formula
- C14H22S
- Molecular weight
- 0
Names & synonyms
2,7-Di-tert-butylthiepin83670-21-7DTXSID20232503RefChem:248717DTXCID801549942,7-DI-TERT-BUTYLTHIEPINE2,7-di-t-butylthiepinQ2092812,7-ditert-butylthiepine
Database identifiers
- CAS
83670-21-7- PubChem CID
- 145017
- DTXSID
DTXSID20232503- Nikkaji
- J604.485I
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 284
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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