Basic information
- CAS
5439-65-6- Standard SMILES
CCCCCOC(=S)SC(=O)OCC- InChIKey
BVTBSBLWSFUBGL-UHFFFAOYSA-N- Molecular formula
- C9H16O3S2
- Average molar mass
- 236.4 g/mol
- Monoisotopic mass
- 236.05408672
Names & identifiers
- Preferred name
- o-Ethyl o-pentyl dithiodicarbonate
- IUPAC
- ethyl pentoxycarbothioylsulfanylformate
Names & synonyms
5439-65-6o-ethyl o-pentyl dithiodicarbonateNSC15265DTXSID70280059NSC-15265
Database identifiers
- CAS
5439-65-6- PubChem CID
- 225655
- DTXSID
DTXSID70280059
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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