O,O,O-Tris(2-chloroethyl) phosphorothioate
Completing data — refresh the page later to see the latest
Basic information
- CAS
10235-09-3- Standard SMILES
S=P(OCCCl)(OCCCl)OCCCl- InChIKey
UDNXMNHGQDZEIC-UHFFFAOYSA-N- Molecular formula
- C6H12Cl3O3PS
- Average molar mass
- 301.6 g/mol
- Monoisotopic mass
- 299.931035
Names & identifiers
- Preferred name
- O,O,O-Tris(2-chloroethyl) phosphorothioate
- IUPAC
- tris(2-chloroethoxy)-sulfanylidene-λ5-phosphane
- English name
- Thiophosphoric acid O,O,O-tris(2-chloroethyl) ester
- Molecular formula
- C6H12Cl3O3PS
- Molecular weight
- 301.56
Names & synonyms
O,O,O-tris(2-chloroethyl) phosphorothioate10235-09-3UNII-HK67E42RTIHK67E42RTIEthanol, 2-chloro-, phosphorothioate (3:1)Phosphorothioic acid, tris(2-chloroethyl) esterBRN 1710939Phosphorothioic acid, O,O,O-tris(2-chloroethyl) esterPhosphorothioic acid, O,O,O-tri(2-chloroethyl) esterDTXSID001449334-01-00-01381 (Beilstein Handbook Reference)TRIS(2-CHLOROETHANOL) PHOSPHOROTHIOATE
Show more names
Ethanol, 2-chloro-, phosphorothioate (3:1) (9CI)
RefChem:167039DTXCID0067424Thiophosphoric acid O,O,O-tris(2-chloroethyl) estertris(2-chloroethoxy)-sulfanylidene-lambda5-phosphaneQ27279968
Database identifiers
- CAS
10235-09-3- PubChem CID
- 82479
- DTXSID
DTXSID00144933- UNII
- HK67E42RTI
- Nikkaji
- J34.691H
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 141.1 °C · 141.1°C
- Density
- 1.4778 g/cm3 · 1.4778 g/cm3
- FDA UNII
- 67 E42RTI · HK67E42RTI
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…