Basic information
- CAS
20276-83-9- Standard SMILES
CCOP(=S)(OCC)SCn1nc(OC(C)C)sc1=O- InChIKey
LQHMZSQJOYPNND-UHFFFAOYSA-N- Molecular formula
- C10H19N2O4PS3
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.02445761
Names & identifiers
- Preferred name
- Prothidathion
- IUPAC
- 3-(diethoxyphosphinothioylsulfanylmethyl)-5-propan-2-yloxy-1,3,4-thiadiazol-2-one
Names & synonyms
Prothidathion20276-83-9Prothidathion [ISO]Caswell No. 350UNII-I73K3QUS5WI73K3QUS5WEPA Pesticide Chemical Code 350100DTXSID5058014S-((2,3-Dihydro-5-isopropoxy-2-oxo-1,3,4-thiadiazol-3-yl)methyl) O,O-diethyl phosphorodithioatePhosphorodithioic acid, O,O-diethyl S-((5-(1-methylethoxy)-2-oxo-1,3,4-thiadiazol-3(2H)-yl)methyl) esterO,O-DIETHYL S-((5-(1-METHYLETHOXY)-2-OXO-1,3,4-THIADIAZOL-3(2H)-YL)METHYL) PHOSPHORODITHIOATEO,O-DIETHYL S-2,3-DIHYDRO-5-ISOPROPOXY-2-OXO-1,3,4-THIADIAZOL-3-YLMETHYL PHOSPHORODITHIOATE
Show more names
PHOSPHORODITHIOIC ACID, O,O-DIETHYL ESTER, S-ESTER WITH 2-ISOPROPOXY-4-(MERCAPTOMETHYL)-.DELTA.2-1,3,4-THIADIAZOLIN-5-ONERefChem:176648DTXCID8031782PHOSPHORODITHIOIC ACID, O,O-DIETHYL ESTER, S-ESTER WITH 2-ISOPROPOXY-4-(MERCAPTOMETHYL)-DELTA2-1,3,4-THIADIAZOLIN-5-ONE3-(diethoxyphosphinothioylsulfanylmethyl)-5-propan-2-yloxy-1,3,4-thiadiazol-2-oneSCHEMBL118303O,O-diethyl S-((5-isopropoxy-2-oxo-1,3,4-thiadiazol-3(2H)-yl)methyl) phosphorodithioateQ27280528
Database identifiers
- CAS
20276-83-9- PubChem CID
- 11660449
- DTXSID
DTXSID5058014- UNII
- I73K3QUS5W
- Nikkaji
- J21.259H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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