2-Cyclohexyl-5-((5,5-dimethyl-2-sulfido-1,3,2-dioxaphosphinan-2-yl)oxy)-4-methoxypyridazin-3(2H)-one
Basic information
- CAS
76105-55-0- Standard SMILES
COc1c(OP2(=S)OCC(C)(C)CO2)cnn(C2CCCCC2)c1=O- InChIKey
CBVRUKSFPQLWDV-UHFFFAOYSA-N- Molecular formula
- C16H25N2O5PS
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.12218007
Names & identifiers
- Preferred name
- 2-Cyclohexyl-5-((5,5-dimethyl-2-sulfido-1,3,2-dioxaphosphinan-2-yl)oxy)-4-methoxypyridazin-3(2H)-one
- IUPAC
- 2-cyclohexyl-5-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-4-methoxypyridazin-3-one
Names & synonyms
76105-55-0F9CZ4V3F3JNSC3501872-Cyclohexyl-5-((5,5-dimethyl-2-sulfido-1,3,2-dioxaphosphinan-2-yl)oxy)-4-methoxypyridazin-3(2H)-oneUNII-F9CZ4V3F3JNSC 350187MLS003171074NSC-3501872-Cyclohexyl-5-((5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy)-4-methoxypyridazin-3-one2-Cyclohexyl-5-[(5,5-dimethyl-2-sulfido-1,3,2-dioxaphosphinan-2-yl)oxy]-4-methoxypyridazin-3(2H)-one2-Cyclohexyl-5-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-4-methoxypyridazin-3-oneCHEMBL1899641
Show more names
DTXSID40226984SMR0018749832-Cyclohexyl-5-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda~5~-dioxaphosphinan-2-yl)oxy]-4-methoxypyridazin-3(2H)-one2-cyclohexyl-5-[(5,5-dimethyl-2-thioxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)oxy]-4-methoxy-pyridazin-3-one
Database identifiers
- CAS
76105-55-0- PubChem CID
- 336378
- DTXSID
DTXSID40226984
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 628
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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