Basic information
- CAS
6081-24-9- Standard SMILES
CC(C)(C)c1cscn1- InChIKey
FNHWFALBBBUBGY-UHFFFAOYSA-N- Molecular formula
- C7H11NS
- Average molar mass
- 141.24 g/mol
- Monoisotopic mass
- 141.06122053
Names & identifiers
- Preferred name
- 4-tert-Butylthiazole
- IUPAC
- 4-tert-butyl-1,3-thiazole
- English name
- 4-(1,1-Dimethylethyl)thiazole
- Molecular formula
- C7H11NS
- Molecular weight
- 141.23
Names & synonyms
4-tert-Butylthiazole4-tert-Butyl-1,3-thiazole6081-24-9Thiazole, 4-(1,1-dimethylethyl)-Thiazole, 4-tert-butyl-4-tert.-butylthiazol4-tert-Butyl-thiazolethiazole, 4-t-butyl-4-(tert-Butyl)thiazoleSCHEMBL75290SCHEMBL3312584-tert-Butyl-1,3-thiazole #
Show more names
4-(1,1-Dimethylethyl)thiazole
DTXSID90342365FNHWFALBBBUBGY-UHFFFAOYSA-N
Database identifiers
- CAS
6081-24-9- PubChem CID
- 581111
- DTXSID
DTXSID90342365- Nikkaji
- J129.802J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 95.6
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 78 °C · 78 °C(Press: 12 Torr)
- Density
- 1.017 · 1.017±0.06 g/cm3(Predicted)
- pka
- 3.19 · 3.19±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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