Phosphonothioic acid, (2-chloroethyl)-
Basic information
- CAS
32403-58-0- Standard SMILES
OP(O)(=S)CCCl- InChIKey
AHEJETSIRUFWPC-UHFFFAOYSA-N- Molecular formula
- C2H6ClO2PS
- Average molar mass
- 160.56 g/mol
- Monoisotopic mass
- 159.9514653
Names & identifiers
- Preferred name
- Phosphonothioic acid, (2-chloroethyl)-
- IUPAC
- 2-chloroethyl-dihydroxy-sulfanylidene-λ5-phosphane
- English name
- (2-Chloroethyl)phosphonothioic acid
- Molecular formula
- C2H6ClO2PS
- Molecular weight
- 160.56
Names & synonyms
Phosphonothioic acid, (2-chloroethyl)-BRN 2073874(2-Chloroethyl)phosphonothioic acid32403-58-0DTXSID80186119RefChem:370709DTXCID40108610(2-chloroethyl)phosphonothioic o,o-acidSCHEMBL2514627SCHEMBL11882569AKOS006277929Phosphonothioic acid, (2-chloroethyl)- (8CI,9CI)
Database identifiers
- CAS
32403-58-0- PubChem CID
- 208530
- DTXSID
DTXSID80186119- Nikkaji
- J855.342D
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 89.7
Physicochemical properties
- Boiling point
- 275.5 · 275.5±42.0 °C(Predicted)
- Density
- 1.477 · 1.477±0.06 g/cm3(Predicted)
- pka
- 1.67 · 1.67±0.50(Predicted)
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Related reactions
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Compound notes
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