Basic information
- CAS
12701-69-8- Standard SMILES
CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C.CCNc1nc(NC(C)C(C)C)nc(SC)n1- InChIKey
ZQYNREJUDSMZQG-UHFFFAOYSA-N- Molecular formula
- C25H49N6O3PS3
- Average molar mass
- 608.9 g/mol
- Monoisotopic mass
- 608.27658996
Names & identifiers
- Preferred name
- Phosphorodithioic acid, S-(2-(2-methyl-1-piperidinyl)-2-oxoethyl) O,O-dipropyl ester, mixt. with N-(1,2-dimethylpropyl)-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine
- IUPAC
- 2-dipropoxyphosphinothioylsulfanyl-1-(2-methylpiperidin-1-yl)ethanone;4-N-ethyl-2-N-(3-methylbutan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
Names & synonyms
12701-69-8Phosphorodithioic acid, S-(2-(2-methyl-1-piperidinyl)-2-oxoethyl) O,O-dipropyl ester, mixt. with N-(1,2-dimethylpropyl)-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamineDTXSID60925765S-[2-(2-Methylpiperidin-1-yl)-2-oxoethyl] O,O-dipropyl phosphorodithioate--N~4~-ethyl-N~2~-(3-methylbutan-2-yl)-6-(methylsulfanyl)-1,3,5-triazine-2,4(1H,3H)-diimine (1/1)
Database identifiers
- CAS
12701-69-8- PubChem CID
- 93069
- DTXSID
DTXSID60925765
Properties
Computed structural properties
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 15
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 570
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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