Basic information
- CAS
8066-08-8- Standard SMILES
CCS(=O)(=O)CCOP(=S)(OC)OC.COP(=S)(OC)SCn1nnc2ccccc2c1=O- InChIKey
JLHMQJDKLMWTGY-UHFFFAOYSA-N- Molecular formula
- C16H27N3O8P2S4
- Average molar mass
- 579.6 g/mol
- Monoisotopic mass
- 579.01562352
Names & identifiers
- Preferred name
- Gusathion MS
- IUPAC
- 3-(dimethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one;2-ethylsulfonylethoxy-dimethoxy-sulfanylidene-λ5-phosphane
Names & synonyms
Gusathion MS8066-08-8Phosphorothioic acid, O-(2-(ethylsulfonyl)ethyl) O,O-dimethyl ester, mixt. with O,O-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl)phosphorodithioateDTXSID10230472O,O-Dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] phosphorodithioate--O-[2-(ethanesulfonyl)ethyl] O,O-dimethyl phosphorothioate (1/1)
Database identifiers
- CAS
8066-08-8- PubChem CID
- 44149596
- DTXSID
DTXSID10230472
Properties
Computed structural properties
- Topological polar surface area
- 223 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 699
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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