Basic information
- CAS
77161-88-7- Standard SMILES
CCOP(=O)(SCC)SC(C)C- InChIKey
UPSZGUDMBRMQNI-UHFFFAOYSA-N- Molecular formula
- C7H17O2PS2
- Average molar mass
- 228.3 g/mol
- Monoisotopic mass
- 228.04075913
Names & identifiers
- Preferred name
- Phosphorodithioic acid, O,S-diethyl S-isopropyl ester
- IUPAC
- 2-[ethoxy(ethylsulfanyl)phosphoryl]sulfanylpropane
Names & synonyms
77161-88-7Phosphorodithioic acid, O,S-diethyl S-isopropyl esterDTXSID70998425O,S-diethyl S-propan-2-yl phosphorodithioateO,S-Diethyl S-(propan-2-yl) phosphorodithioate
Database identifiers
- CAS
77161-88-7- PubChem CID
- 190034
- DTXSID
DTXSID70998425
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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