2-Butyl-4,5-dimethylthiazole
Basic information
- CAS
76572-48-0- Standard SMILES
CCCCc1nc(C)c(C)s1- InChIKey
OHJFDYDPHXVQBC-UHFFFAOYSA-N- Molecular formula
- C9H15NS
- Average molar mass
- 169.29 g/mol
- Monoisotopic mass
- 169.09252066
Names & identifiers
- Preferred name
- 2-Butyl-4,5-dimethylthiazole
- IUPAC
- 2-butyl-4,5-dimethyl-1,3-thiazole
Names & synonyms
2-BUTYL-4,5-DIMETHYLTHIAZOLE2-Butyl-4,5-dimethyl-1,3-thiazole76572-48-01LNJ91K65XThiazole, 2-butyl-4,5-dimethyl-UNII-1LNJ91K65X2-butyl-4,5-dimethyl thiazole2-Butyl-4,5-dimethyl-thiazole2-n-Butyl-4,5-dimethylthiazoleDTXSID90227380OHJFDYDPHXVQBC-UHFFFAOYSA-N2-BUTYL-4,5-DIMETHLTHIAZOLE
Show more names
2-Butyl-4,5-dimethyl-1,3-thiazole #NS00124043Q63398312
Database identifiers
- CAS
76572-48-0- PubChem CID
- 53517
- DTXSID
DTXSID90227380- UNII
- 1LNJ91K65X
- Nikkaji
- J47.702H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 116
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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