Basic information
- CAS
15679-14-8- Standard SMILES
Cc1csc(C(C)(C)C)n1- InChIKey
DPLNOHLYSPQOEM-UHFFFAOYSA-N- Molecular formula
- C8H13NS
- Average molar mass
- 155.26 g/mol
- Monoisotopic mass
- 155.07687059
Names & identifiers
- Preferred name
- 2-tert-Butyl-4-methyl-1,3-thiazole
- IUPAC
- 2-tert-butyl-4-methyl-1,3-thiazole
- English name
- 2-(1,1-Dimethylethyl)-4-methylthiazole
- Molecular formula
- C8H13NS
- Molecular weight
- 155.26
Names & synonyms
2-tert-Butyl-4-methyl-1,3-thiazole15679-14-82-(tert-butyl)-4-methylthiazole2-(1,1-Dimethylethyl)-4-methylthiazole2-tert-Butyl-4-methylthiazoleThiazole, 2-(1,1-dimethylethyl)-4-methyl-Thiazole, 2-tert-butyl-4-methyl-SCHEMBL279632DTXSID30343134MFCD26797036AKOS0267321682-tert-Butyl-4-methyl-1,3-thiazole #
Show more names
SY454541
Database identifiers
- CAS
15679-14-8- PubChem CID
- 587669
- DTXSID
DTXSID30343134- Nikkaji
- J129.810K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- Boiling point
- 200 · 200.0±9.0 °C(Predicted)
- Density
- 1.001 · 1.001±0.06 g/cm3(Predicted)
- pka
- 3.83 · 3.83±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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