Basic information
- CAS
118888-11-2- Standard SMILES
CC(C)(C)c1c(Br)sc(Br)c1C(C)(C)C- InChIKey
GJLJPPFABKIQDG-UHFFFAOYSA-N- Molecular formula
- C12H18Br2S
- Average molar mass
- 354.15 g/mol
- Monoisotopic mass
- 351.9496
Names & identifiers
- Preferred name
- 2,5-Dibromo-3,4-di-tert-butylthiophene
- IUPAC
- 2,5-dibromo-3,4-ditert-butylthiophene
- English name
- Thiophene, 2,5-dibromo-3,4-bis(1,1-dimethylethyl)-
- Molecular formula
- C12H18Br2S
- Molecular weight
- 354.14
Names & synonyms
2,5-Dibromo-3,4-di-tert-butylthiophene118888-11-2Thiophene, 2,5-dibromo-3,4-bis(1,1-dimethylethyl)-
Database identifiers
- CAS
118888-11-2- PubChem CID
- 14007067
- Nikkaji
- J792.994C
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Melting point
- 75.5 · 75.5-76.5 °C
- Boiling point
- 293.9 · 293.9±35.0 °C(Predicted)
- Density
- 1.447 · 1.447±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers8 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
广州凯途化学有限公司18933936954 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
上海有集材料有限公司13052376889 13681663468 · [email protected]
Guangzhou CATO Research Chemicals Inc.+86-020-81960175-617 18520203721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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