methylsulfinylmethane;thiolane 1,1-dioxide

C6H14O3S2 — CID 70050002

IUPACmethylsulfinylmethane;thiolane 1,1-dioxide
SMILESCS(C)=O.O=S1(=O)CCCC1
InChIInChI=1S/C4H8O2S.C2H6OS/c5-7(6)3-1-2-4-7;1-4(2)3/h1-4H2;1-2H3
InChIKeySZZYAOCSMNDGPI-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.19
Rot. Bonds

About methylsulfinylmethane;thiolane 1,1-dioxide

methylsulfinylmethane;thiolane 1,1-dioxide (PubChem CID 70050002) has the molecular formula C6H14O3S2 and a molecular weight of 198.31 g/mol. Its IUPAC name is methylsulfinylmethane;thiolane 1,1-dioxide.

Molecular Properties

Compound Namemethylsulfinylmethane;thiolane 1,1-dioxide
PubChem CID70050002
Molecular FormulaC6H14O3S2
Molecular Weight198.31 g/mol
Exact Mass198.04
IUPAC Namemethylsulfinylmethane;thiolane 1,1-dioxide
SMILESCS(C)=O.O=S1(=O)CCCC1
InChIInChI=1S/C4H8O2S.C2H6OS/c5-7(6)3-1-2-4-7;1-4(2)3/h1-4H2;1-2H3
InChIKeySZZYAOCSMNDGPI-UHFFFAOYSA-N
XLogP0.19
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methylsulfinylmethane;thiolane 1,1-dioxide?
The IUPAC name of methylsulfinylmethane;thiolane 1,1-dioxide (CID 70050002) is methylsulfinylmethane;thiolane 1,1-dioxide.
What is the SMILES notation for methylsulfinylmethane;thiolane 1,1-dioxide?
The canonical SMILES for methylsulfinylmethane;thiolane 1,1-dioxide is CS(C)=O.O=S1(=O)CCCC1.
What is the InChIKey of methylsulfinylmethane;thiolane 1,1-dioxide?
The InChIKey is SZZYAOCSMNDGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S.C2H6OS/c5-7(6)3-1-2-4-7;1-4(2)3/h1-4H2;1-2H3.
What are the key properties of methylsulfinylmethane;thiolane 1,1-dioxide?
methylsulfinylmethane;thiolane 1,1-dioxide has a molecular weight of 198.31 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinylmethane;thiolane 1,1-dioxide is sourced from PubChem (CID 70050002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).