methylsulfinylmethane;oxolan-2-one

C6H12O3S — CID 18353886

IUPACmethylsulfinylmethane;oxolan-2-one
SMILESCS(C)=O.O=C1CCCO1
InChIInChI=1S/C4H6O2.C2H6OS/c5-4-2-1-3-6-4;1-4(2)3/h1-3H2;1-2H3
InChIKeyQJYOTENOHMKILD-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.32
Rot. Bonds

About methylsulfinylmethane;oxolan-2-one

methylsulfinylmethane;oxolan-2-one (PubChem CID 18353886) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is methylsulfinylmethane;oxolan-2-one.

Molecular Properties

Compound Namemethylsulfinylmethane;oxolan-2-one
PubChem CID18353886
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Namemethylsulfinylmethane;oxolan-2-one
SMILESCS(C)=O.O=C1CCCO1
InChIInChI=1S/C4H6O2.C2H6OS/c5-4-2-1-3-6-4;1-4(2)3/h1-3H2;1-2H3
InChIKeyQJYOTENOHMKILD-UHFFFAOYSA-N
XLogP0.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methylsulfinylmethane;oxolan-2-one?
The IUPAC name of methylsulfinylmethane;oxolan-2-one (CID 18353886) is methylsulfinylmethane;oxolan-2-one.
What is the SMILES notation for methylsulfinylmethane;oxolan-2-one?
The canonical SMILES for methylsulfinylmethane;oxolan-2-one is CS(C)=O.O=C1CCCO1.
What is the InChIKey of methylsulfinylmethane;oxolan-2-one?
The InChIKey is QJYOTENOHMKILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C2H6OS/c5-4-2-1-3-6-4;1-4(2)3/h1-3H2;1-2H3.
What are the key properties of methylsulfinylmethane;oxolan-2-one?
methylsulfinylmethane;oxolan-2-one has a molecular weight of 164.23 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinylmethane;oxolan-2-one is sourced from PubChem (CID 18353886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).