ethane;methyl methanesulfinate

C6H18O4S2 — CID 90810539

IUPACethane;methyl methanesulfinate
SMILESCC.COS(C)=O.COS(C)=O
InChIInChI=1S/2C2H6O2S.C2H6/c2*1-4-5(2)3;1-2/h2*1-2H3;1-2H3
InChIKeyRGEQHIWHHXQYPR-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.88
Rot. Bonds2

About ethane;methyl methanesulfinate

ethane;methyl methanesulfinate (PubChem CID 90810539) has the molecular formula C6H18O4S2 and a molecular weight of 218.34 g/mol. Its IUPAC name is ethane;methyl methanesulfinate.

Molecular Properties

Compound Nameethane;methyl methanesulfinate
PubChem CID90810539
Molecular FormulaC6H18O4S2
Molecular Weight218.34 g/mol
Exact Mass218.06
IUPAC Nameethane;methyl methanesulfinate
SMILESCC.COS(C)=O.COS(C)=O
InChIInChI=1S/2C2H6O2S.C2H6/c2*1-4-5(2)3;1-2/h2*1-2H3;1-2H3
InChIKeyRGEQHIWHHXQYPR-UHFFFAOYSA-N
XLogP0.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

fluoromethane;methyl methanesulfinate;propan-2-one;1,4-xylene
CID 54335961
methylsulfinylmethane
CID 21183497
magnesium methyl sulfite
CID 88792923
zinc methyl sulfite
CID 88792512
sodium;hydride;methanesulfinoperoxoic acid
CID 173264502
potassium methylsulfinylmethane
CID 22410893
methylsulfinylmethane;trimethyl phosphate
CID 161484934
methylphosphanyl methanesulfinate
CID 87159458
methoxysulfinylformic acid
CID 169087716
methyl dichloromethanesulfinate
CID 71386030
[dimethylcarbamoyl(methyl)amino] methanesulfinate
CID 20709113
ethane;methoxymethane
CID 91263182

Frequently Asked Questions

What is the IUPAC name of ethane;methyl methanesulfinate?
The IUPAC name of ethane;methyl methanesulfinate (CID 90810539) is ethane;methyl methanesulfinate.
What is the SMILES notation for ethane;methyl methanesulfinate?
The canonical SMILES for ethane;methyl methanesulfinate is CC.COS(C)=O.COS(C)=O.
What is the InChIKey of ethane;methyl methanesulfinate?
The InChIKey is RGEQHIWHHXQYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H6O2S.C2H6/c2*1-4-5(2)3;1-2/h2*1-2H3;1-2H3.
What are the key properties of ethane;methyl methanesulfinate?
ethane;methyl methanesulfinate has a molecular weight of 218.34 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl methanesulfinate is sourced from PubChem (CID 90810539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).