S~1~,S~3~-Diethyl 5-tert-butylbenzene-1,3-dicarbothioate
Basic information
- CAS
64148-48-7- Standard SMILES
CCSC(=O)c1cc(C(=O)SCC)cc(C(C)(C)C)c1- InChIKey
PBHPHFMCNVIPGY-UHFFFAOYSA-N- Molecular formula
- C16H22O2S2
- Average molar mass
- 310.5 g/mol
- Monoisotopic mass
- 310.10612229
Names & identifiers
- Preferred name
- S~1~,S~3~-Diethyl 5-tert-butylbenzene-1,3-dicarbothioate
- IUPAC
- 1-S,3-S-diethyl 5-tert-butylbenzene-1,3-dicarbothioate
Names & synonyms
64148-48-7DTXSID90313156S~1~,S~3~-Diethyl 5-tert-butylbenzene-1,3-dicarbothioateRefChem:382763DTXCID40264280NSC266594NSC-266594
Database identifiers
- CAS
64148-48-7- PubChem CID
- 320204
- DTXSID
DTXSID90313156
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 321
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Compound notes
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