Basic information
- CAS
1689-77-6- Standard SMILES
CC(C)(C)c1ccc(C(C)(C)C)s1- InChIKey
ISYGRXKYALZEIS-UHFFFAOYSA-N- Molecular formula
- C12H20S
- Average molar mass
- 196.35 g/mol
- Monoisotopic mass
- 196.12857181
Names & identifiers
- Preferred name
- 2,5-Di-tert-butylthiophene
- IUPAC
- 2,5-ditert-butylthiophene
- English name
- 2,5-Di-tert-butylthiophene
- Molecular formula
- C12H20S
- Molecular weight
- 196.35
Names & synonyms
2,5-Di-tert-butylthiopheneThiophene, 2,5-bis(1,1-dimethylethyl)-Thiophene, 2,5-di-tert-butyl-DTXSID00168619NSC 43573RefChem:247239DTXCID8091110ISYGRXKYALZEIS-UHFFFAOYSA-N1689-77-62,5-ditert-butylthiopheneNSC435732,5-Diisobutylthiophene
Show more names
2,5-di-t-butylthiophene2,5-ditert-butyl-thiopheneThiophene,5-di-tert-butyl-SCHEMBL47581NSC-43573Thiophene,5-bis(1,1-dimethylethyl)-EN300-8044271
Database identifiers
- CAS
1689-77-6- PubChem CID
- 34833
- DTXSID
DTXSID00168619- Nikkaji
- J80.289A
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 221 · 221-222 °C
- Density
- 0.924 · 0.924±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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