O-(4-tert-butylphenyl) benzenecarbothioate
Basic information
- CAS
13522-39-9- Standard SMILES
CC(C)(C)c1ccc(OC(=S)c2ccccc2)cc1- InChIKey
ICFQMGMYPUMAJQ-UHFFFAOYSA-N- Molecular formula
- C17H18OS
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.10783637
Names & identifiers
- Preferred name
- O-(4-tert-butylphenyl) benzenecarbothioate
- IUPAC
- O-(4-tert-butylphenyl) benzenecarbothioate
Names & synonyms
13522-39-9O-(4-tert-butylphenyl) benzenecarbothioateNSC171709DTXSID30305813NSC-171709
Database identifiers
- CAS
13522-39-9- PubChem CID
- 299238
- DTXSID
DTXSID30305813
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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