Basic information
- CAS
263385-01-9- Standard SMILES
Cc1ccc(SC(=O)c2cc(C)on2)cc1- InChIKey
RMXYXKJDZCFPQL-UHFFFAOYSA-N- Molecular formula
- C12H11NO2S
- Average molar mass
- 233.29 g/mol
- Monoisotopic mass
- 233.05104977
Names & identifiers
- Preferred name
- S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate
- IUPAC
- S-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioate
Names & synonyms
Maybridge3_007356S-(4-Methylphenyl) 5-methyl-3-isoxazolecarbothioateS-(4-methylphenyl) 5-methyl-1,2-oxazole-3-carbothioateDTXSID101222618HMS1451O08IDI1_018743263385-01-9
Database identifiers
- CAS
263385-01-9- PubChem CID
- 2744556
- DTXSID
DTXSID101222618
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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