dimethyl sulfate;trimethyl phosphate

C5H15O8PS — CID 159905170

IUPACdimethyl sulfate;trimethyl phosphate
SMILESCOP(=O)(OC)OC.COS(=O)(=O)OC
InChIInChI=1S/C3H9O4P.C2H6O4S/c1-5-8(4,6-2)7-3;1-5-7(3,4)6-2/h1-3H3;1-2H3
InChIKeyNWLZNNNTKGSQSY-UHFFFAOYSA-N
MW266.21 g/mol
LogP0.56
Rot. Bonds5

About dimethyl sulfate;trimethyl phosphate

dimethyl sulfate;trimethyl phosphate (PubChem CID 159905170) has the molecular formula C5H15O8PS and a molecular weight of 266.21 g/mol. Its IUPAC name is dimethyl sulfate;trimethyl phosphate.

Molecular Properties

Compound Namedimethyl sulfate;trimethyl phosphate
PubChem CID159905170
Molecular FormulaC5H15O8PS
Molecular Weight266.21 g/mol
Exact Mass266.02
IUPAC Namedimethyl sulfate;trimethyl phosphate
SMILESCOP(=O)(OC)OC.COS(=O)(=O)OC
InChIInChI=1S/C3H9O4P.C2H6O4S/c1-5-8(4,6-2)7-3;1-5-7(3,4)6-2/h1-3H3;1-2H3
InChIKeyNWLZNNNTKGSQSY-UHFFFAOYSA-N
XLogP0.56
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl sulfate;trimethyl phosphate?
The IUPAC name of dimethyl sulfate;trimethyl phosphate (CID 159905170) is dimethyl sulfate;trimethyl phosphate.
What is the SMILES notation for dimethyl sulfate;trimethyl phosphate?
The canonical SMILES for dimethyl sulfate;trimethyl phosphate is COP(=O)(OC)OC.COS(=O)(=O)OC.
What is the InChIKey of dimethyl sulfate;trimethyl phosphate?
The InChIKey is NWLZNNNTKGSQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O4P.C2H6O4S/c1-5-8(4,6-2)7-3;1-5-7(3,4)6-2/h1-3H3;1-2H3.
What are the key properties of dimethyl sulfate;trimethyl phosphate?
dimethyl sulfate;trimethyl phosphate has a molecular weight of 266.21 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl sulfate;trimethyl phosphate is sourced from PubChem (CID 159905170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).