Ent 25507
Basic information
- CAS
74-60-2- Standard SMILES
CC(C)OP(=S)(Oc1ccc(S(C)=O)cc1)OC(C)C- InChIKey
ZAHCGJGQTLXHMW-UHFFFAOYSA-N- Molecular formula
- C13H21O4PS2
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.06188849
Names & identifiers
- Preferred name
- Ent 25507
- IUPAC
- (4-methylsulfinylphenoxy)-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane
- English name
- O,O-Bisisopropyl O-(4-(methylsulfinyl)phenyl) phosphorothioate
- Molecular formula
- C13H21O4PS2
- Molecular weight
- 336.41
Names & synonyms
74-60-2Bayer 25142O,O-Bis(1-methylethyl) O-(4-(methylsulfinyl)phenyl) phosphorothioateS-770ENT 25,507BRN 2148418ENT 25507Phosphorothioic acid, O,O-diisopropyl O-(p-(methylsulfinyl)phenyl) esterRefChem:339592(4-methylsulfinylphenoxy)-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphanePhosphorothioic acid,O,O-bis(1-methylethyl) O-[4-(methylsulfinyl)phenyl] esterDTXSID10995276
Show more names
Phenyl Acetate Impurity 32O,O-Bisisopropyl O-(4-(methylsulfinyl)phenyl) phosphorothioatePhosphorothioic acid, O,O-bis(1-methylethyl) O-[4-(methylsulfinyl)phenyl] ester
O,O-Diisopropyl O-(4-(methylsulfinyl)phenyl) phosphorothioateO-[4-(Methanesulfinyl)phenyl] O,O-di(propan-2-yl) phosphorothioateO-[4-(Methanesulfinyl)phenyl] O,O-dipropan-2-yl phosphorothioate
Database identifiers
- CAS
74-60-2- PubChem CID
- 66152
- DTXSID
DTXSID10995276- Nikkaji
- J10.980K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Boiling point
- 130 °C · 130 °C(Press: 0.01 Torr)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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