Basic information
- CAS
63892-74-0- Standard SMILES
CSCCc1nc(C)oc1C- InChIKey
QWTQJJYBCFGVFP-UHFFFAOYSA-N- Molecular formula
- C8H13NOS
- Average molar mass
- 171.26 g/mol
- Monoisotopic mass
- 171.07178521
Names & identifiers
- Preferred name
- 2,5-Dimethyl-4-[2-(methylsulfanyl)ethyl]-1,3-oxazole
- IUPAC
- 2,5-dimethyl-4-(2-methylsulfanylethyl)-1,3-oxazole
Names & synonyms
63892-74-0NSC2807192,5-Dimethyl-4-[2-(methylsulfanyl)ethyl]-1,3-oxazoleDTXSID40314118NSC-280719DS-000609OXAZOLE,2,5-DIMETHYL-4-[2-(METHYLTHIO)ETHYL]-
Database identifiers
- CAS
63892-74-0- PubChem CID
- 322641
- DTXSID
DTXSID40314118
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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