Basic information
- CAS
5439-27-0- Standard SMILES
CCCC(C)c1ccccc1OP(=S)(S)Oc1ccccc1C(C)CCC- InChIKey
DQMYYMSTKICJAP-UHFFFAOYSA-N- Molecular formula
- C22H31O2PS2
- Average molar mass
- 422.6 g/mol
- Monoisotopic mass
- 422.15030957
Names & identifiers
- Preferred name
- o,o-Bis[2-(pentan-2-yl)phenyl] hydrogen phosphorodithioate
- IUPAC
- bis(2-pentan-2-ylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane
Names & synonyms
5439-27-0o,o-bis[2-(pentan-2-yl)phenyl] hydrogen phosphorodithioateNSC15084SCHEMBL10940724DTXSID60280008NSC-15084
Database identifiers
- CAS
5439-27-0- PubChem CID
- 225541
- DTXSID
DTXSID60280008
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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