S-phenyl 2,4,6-trimethylbenzenecarbothioate
Basic information
- CAS
50404-53-0- Standard SMILES
Cc1cc(C)c(C(=O)Sc2ccccc2)c(C)c1- InChIKey
CONXDVVCZMNSPL-UHFFFAOYSA-N- Molecular formula
- C16H16OS
- Average molar mass
- 256.4 g/mol
- Monoisotopic mass
- 256.0921863
Names & identifiers
- Preferred name
- S-phenyl 2,4,6-trimethylbenzenecarbothioate
- IUPAC
- S-phenyl 2,4,6-trimethylbenzenecarbothioate
Names & synonyms
50404-53-0S-phenyl 2,4,6-trimethylbenzenecarbothioateNSC101012NCIOpen2_006726SCHEMBL8398564DTXSID00295292NSC-1010122,4,6-trimethyl-thiobenzoic acid S-phenyl esterS-Phenyl 2,4,6-trimethylbenzene-1-carbothioate
Database identifiers
- CAS
50404-53-0- PubChem CID
- 265176
- DTXSID
DTXSID00295292
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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