methylsulfinylmethane;trimethyl phosphate

C5H15O5PS — CID 161484934

IUPACmethylsulfinylmethane;trimethyl phosphate
SMILESCOP(=O)(OC)OC.CS(C)=O
InChIInChI=1S/C3H9O4P.C2H6OS/c1-5-8(4,6-2)7-3;1-4(2)3/h1-3H3;1-2H3
InChIKeyWEVWYAYOHBLJJD-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.03
Rot. Bonds3

About methylsulfinylmethane;trimethyl phosphate

methylsulfinylmethane;trimethyl phosphate (PubChem CID 161484934) has the molecular formula C5H15O5PS and a molecular weight of 218.21 g/mol. Its IUPAC name is methylsulfinylmethane;trimethyl phosphate.

Molecular Properties

Compound Namemethylsulfinylmethane;trimethyl phosphate
PubChem CID161484934
Molecular FormulaC5H15O5PS
Molecular Weight218.21 g/mol
Exact Mass218.04
IUPAC Namemethylsulfinylmethane;trimethyl phosphate
SMILESCOP(=O)(OC)OC.CS(C)=O
InChIInChI=1S/C3H9O4P.C2H6OS/c1-5-8(4,6-2)7-3;1-4(2)3/h1-3H3;1-2H3
InChIKeyWEVWYAYOHBLJJD-UHFFFAOYSA-N
XLogP1.03
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylsulfinylmethane;trimethyl phosphate?
The IUPAC name of methylsulfinylmethane;trimethyl phosphate (CID 161484934) is methylsulfinylmethane;trimethyl phosphate.
What is the SMILES notation for methylsulfinylmethane;trimethyl phosphate?
The canonical SMILES for methylsulfinylmethane;trimethyl phosphate is COP(=O)(OC)OC.CS(C)=O.
What is the InChIKey of methylsulfinylmethane;trimethyl phosphate?
The InChIKey is WEVWYAYOHBLJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O4P.C2H6OS/c1-5-8(4,6-2)7-3;1-4(2)3/h1-3H3;1-2H3.
What are the key properties of methylsulfinylmethane;trimethyl phosphate?
methylsulfinylmethane;trimethyl phosphate has a molecular weight of 218.21 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinylmethane;trimethyl phosphate is sourced from PubChem (CID 161484934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).