Basic information
- CAS
113706-14-2- Standard SMILES
CCC(C)OP(=S)(S)OCCCCCC(C)C- InChIKey
LPEQNMKNSKSCGZ-UHFFFAOYSA-N- Molecular formula
- C12H27O2PS2
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.11900944
Names & identifiers
- Preferred name
- Butan-2-yloxy-(6-methylheptoxy)-sulfanyl-sulfanylidene-lambda5-phosphane
- IUPAC
- butan-2-yloxy-(6-methylheptoxy)-sulfanyl-sulfanylidene-λ5-phosphane
Database identifiers
- CAS
113706-14-2- PubChem CID
- 86136
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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