Basic information
- CAS
64148-53-4- Standard SMILES
CCOC(=S)c1cc(C(=S)OCC)cc(C(C)(C)C)c1- InChIKey
VQITWPGANIUTFY-UHFFFAOYSA-N- Molecular formula
- C16H22O2S2
- Average molar mass
- 310.5 g/mol
- Monoisotopic mass
- 310.10612229
Names & identifiers
- Preferred name
- O~1~,O~3~-Diethyl 5-tert-butylbenzene-1,3-dicarbothioate
- IUPAC
- 1-O,3-O-diethyl 5-tert-butylbenzene-1,3-dicarbothioate
Names & synonyms
64148-53-4NSC266598DTXSID70313159O~1~,O~3~-Diethyl 5-tert-butylbenzene-1,3-dicarbothioateNSC-2665981, 5-(1,1-dimethylethyl)-, O,O-diethyl ester5-tert-Butyl-dithioisophthalic acid O,O'-diethyl ester
Database identifiers
- CAS
64148-53-4- PubChem CID
- 320208
- DTXSID
DTXSID70313159
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…