dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate

C10H15O4PS — CID 23046

IUPACdimethyl (3-methyl-4-methylsulfanylphenyl) phosphate
SMILESCOP(=O)(OC)Oc1ccc(SC)c(C)c1
InChIInChI=1S/C10H15O4PS/c1-8-7-9(5-6-10(8)16-4)14-15(11,12-2)13-3/h5-7H,1-4H3
InChIKeyZNRZGJAHNMGWQN-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.50
Rot. Bonds5

About dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate

dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate (PubChem CID 23046) has the molecular formula C10H15O4PS and a molecular weight of 262.27 g/mol. Its IUPAC name is dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate.

Molecular Properties

Compound Namedimethyl (3-methyl-4-methylsulfanylphenyl) phosphate
PubChem CID23046
Molecular FormulaC10H15O4PS
Molecular Weight262.27 g/mol
Exact Mass262.04
IUPAC Namedimethyl (3-methyl-4-methylsulfanylphenyl) phosphate
SMILESCOP(=O)(OC)Oc1ccc(SC)c(C)c1
InChIInChI=1S/C10H15O4PS/c1-8-7-9(5-6-10(8)16-4)14-15(11,12-2)13-3/h5-7H,1-4H3
InChIKeyZNRZGJAHNMGWQN-UHFFFAOYSA-N
XLogP3.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Fenthion
CID 3346
Fenamiphos
CID 31070
Propaphos
CID 23717
Fenamiphos sulfoxide
CID 36027
Dimethyl 4-(methylthio)phenyl phosphate
CID 18621
Mesulfenfos
CID 19577
3-Methyl-4-(methylthio)phenol
CID 18391
Fenthion sulfone
CID 19578
Fenoxon sulfoxide
CID 23047
Fenoxon sulfone
CID 26449
Fenthion-ethyl
CID 74390
Phosphoric acid, diethyl 4-(methylthio)phenyl ester
CID 76487

Frequently Asked Questions

What is the IUPAC name of dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate?
The IUPAC name of dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate (CID 23046) is dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate.
What is the SMILES notation for dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate?
The canonical SMILES for dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate is COP(=O)(OC)Oc1ccc(SC)c(C)c1.
What is the InChIKey of dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate?
The InChIKey is ZNRZGJAHNMGWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O4PS/c1-8-7-9(5-6-10(8)16-4)14-15(11,12-2)13-3/h5-7H,1-4H3.
What are the key properties of dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate?
dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate has a molecular weight of 262.27 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate is sourced from PubChem (CID 23046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).