Basic information
- CAS
87636-30-4- Standard SMILES
CC(C)C(O)c1nccs1- InChIKey
RRWNEXWOJPWJAI-UHFFFAOYSA-N- Molecular formula
- C7H11NOS
- Average molar mass
- 157.24 g/mol
Names & identifiers
- Preferred name
- 2-Thiazolemethanol,-alpha--(1-methylethyl)-
- IUPAC
- 2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol
- English name
- 2-Thiazolemethanol, -alpha--(1-methylethyl)-
- Molecular formula
- C7H11NOS
- Molecular weight
- 157.23
Names & synonyms
2-Thiazolemethanol, -alpha--(1-methylethyl)-87636-30-4SCHEMBL16406105SCHEMBL27666202AKOS0231014322-methyl-1-(1,3-thiazol-2-yl)propan-1-olEN300-12389012-Thiazolemethanol, α-(1-methylethyl)-
Database identifiers
- CAS
87636-30-4
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Boiling point
- 115 · 115-116 °C(Press: 15 Torr)
- Density
- 1.151 · 1.151±0.06 g/cm3(Predicted)
- pka
- 12.8 · 12.80±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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