Basic information
- CAS
22808-03-3- Standard SMILES
CC(C)(C)c1cscc1C(C)(C)C- InChIKey
MVJIADFSQHXQBL-UHFFFAOYSA-N- Molecular formula
- C12H20S
- Average molar mass
- 196.35 g/mol
- Monoisotopic mass
- 196.12857181
Names & identifiers
- Preferred name
- 3,4-Di-tert-butylthiophene
- IUPAC
- 3,4-ditert-butylthiophene
- English name
- 3,4-Di-tert-butylthiophene
- Molecular formula
- C12H20S
- Molecular weight
- 196.35
Names & synonyms
3,4-di-tert-butylthiophene22808-03-33,4-ditert-butylthiophene3,4-Bis(1,1-dimethylethyl)thiophene3,4-di-t-butylthiophene3,4-ditert-butyl-thiopheneSCHEMBL506593,4-Di-tert-butyl-thiopheneSCHEMBL2461689DTXSID30275108MFCD18447751AKOS006318784
Show more names
Thiophene, 3,4-bis(1,1-dimethylethyl)-
SY424046H56914
Database identifiers
- CAS
22808-03-3- PubChem CID
- 34834
- DTXSID
DTXSID30275108- Nikkaji
- J83.223E
Properties
Computed structural properties
- XLogP
- 4.9
- 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
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 43 · 43-43.5 °C
- Boiling point
- 75 °C · 75 °C(Press: 4 Torr)
- Density
- 0.924 · 0.924±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers16 total
郑州海阔光电材料有限公司0371-67759225 13526468238 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
广州凯途化学有限公司18933936954 · [email protected]
郑州萃智医药科技有限公司19943855286 · [email protected]
上海药克生物科技有限公司19943855286 · [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]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
河南拉瓦锡化工产品有限公司0371-63682289 18625781376 · [email protected]
上海有集材料有限公司13052376889 13681663468 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [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
Loading…