Basic information
- CAS
36438-69-4- Standard SMILES
CCOC(=S)c1cccc(C(=S)OCC)c1- InChIKey
NEDVASVUOTXDKY-UHFFFAOYSA-N- Molecular formula
- C12H14O2S2
- Average molar mass
- 254.4 g/mol
- Monoisotopic mass
- 254.04352203
Names & identifiers
- Preferred name
- O~1~,O~3~-Diethyl benzene-1,3-dicarbothioate
- IUPAC
- 1-O,3-O-diethyl benzene-1,3-dicarbothioate
Names & synonyms
36438-69-4DTXSID10313158O~1~,O~3~-Diethyl benzene-1,3-dicarbothioateRefChem:367508DTXCID60264282NSC266597ETHOXY-(3-ETHOXYCARBOTHIOYLPHENYL)METHANETHIONEdiethyl dithioisophthalateNSC-266597DS-007637
Database identifiers
- CAS
36438-69-4- PubChem CID
- 320207
- DTXSID
DTXSID10313158
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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