Basic information
- CAS
3568-56-7- Standard SMILES
CCOP(=S)(NC)Oc1ccc(SC)c(C)c1- InChIKey
VVWUVTCRNUHSNB-UHFFFAOYSA-N- Molecular formula
- C11H18NO2PS2
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.05165816
Names & identifiers
- Preferred name
- Merpofos
- IUPAC
- N-[ethoxy-(3-methyl-4-methylsulfanylphenoxy)phosphinothioyl]methanamine
Names & synonyms
Merpofos3568-56-7DTXSID8042131RefChem:1088999DTXCID701476366AI 3-25610O-Ethyl O-(4-methylthio-m-tolyl) methylphosphoramidothioatePhosphoramidothioic acid, methyl-, O-ethyl O-(3-methyl-4-(methylthio)phenyl) esterN-[ethoxy-(3-methyl-4-methylsulfanylphenoxy)phosphinothioyl]methanamineBayer 34,042Phosphoramidothioic acid, methyl-, O-ethyl O-[3-methyl-4-(methylthio)phenyl] esterBAY 34042
Show more names
ENT 25,610AI3-256109QJ8TH8WQUm-Cresol, 4-(methylthio)-, O-ester with O-ethyl methylphosphoramidothioatePhosphoramidothioic acid, methyl-, O-ethyl O-(4-(methylthio)-m-tolyl) esterorb1698644SCHEMBL5933762AKOS040750232
Database identifiers
- CAS
3568-56-7- PubChem CID
- 77113
- DTXSID
DTXSID8042131- UNII
- 9QJ8TH8WQU
- Nikkaji
- J13.568B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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