2-methylsulfonyloxyethanesulfinate

C3H7O5S2- — CID 175079217

IUPAC2-methylsulfonyloxyethanesulfinate
SMILESCS(=O)(=O)OCCS(=O)[O-]
InChIInChI=1S/C3H8O5S2/c1-10(6,7)8-2-3-9(4)5/h2-3H2,1H3,(H,4,5)/p-1
InChIKeyZRDPAACEDVPBMX-UHFFFAOYSA-M
MW187.22 g/mol
LogP-1.16
Rot. Bonds4

About 2-methylsulfonyloxyethanesulfinate

2-methylsulfonyloxyethanesulfinate (PubChem CID 175079217) has the molecular formula C3H7O5S2- and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-methylsulfonyloxyethanesulfinate.

Molecular Properties

Compound Name2-methylsulfonyloxyethanesulfinate
PubChem CID175079217
Molecular FormulaC3H7O5S2-
Molecular Weight187.22 g/mol
Exact Mass186.97
IUPAC Name2-methylsulfonyloxyethanesulfinate
SMILESCS(=O)(=O)OCCS(=O)[O-]
InChIInChI=1S/C3H8O5S2/c1-10(6,7)8-2-3-9(4)5/h2-3H2,1H3,(H,4,5)/p-1
InChIKeyZRDPAACEDVPBMX-UHFFFAOYSA-M
XLogP-1.16
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-dodecylsulfinylethyl methanesulfonate
CID 121405291
4-hydroxybutyl methanesulfonate;methane;methanesulfinate
CID 167701723
methylsulfonyloxymethyl sulfite
CID 58470984
chromium;4-methylsulfonyloxybutyl methanesulfonate
CID 174784786
4-(4-methylsulfonylbutoxy)butane-1-sulfinate
CID 89121418
2-(2-methylpropoxy)ethanesulfinate
CID 174965420
8-ethoxyoctyl methanesulfonate
CID 139711328
ethanamine;propyl methanesulfonate
CID 91463182
methylsulfonyloxymethanesulfinic acid
CID 19968884
3-methoxypropyl methanesulfonate
CID 11693963
2-[2-(methylamino)ethoxy]ethanesulfinate
CID 134379133
methane;pentyl methanesulfonate
CID 158804088

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyloxyethanesulfinate?
The IUPAC name of 2-methylsulfonyloxyethanesulfinate (CID 175079217) is 2-methylsulfonyloxyethanesulfinate.
What is the SMILES notation for 2-methylsulfonyloxyethanesulfinate?
The canonical SMILES for 2-methylsulfonyloxyethanesulfinate is CS(=O)(=O)OCCS(=O)[O-].
What is the InChIKey of 2-methylsulfonyloxyethanesulfinate?
The InChIKey is ZRDPAACEDVPBMX-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8O5S2/c1-10(6,7)8-2-3-9(4)5/h2-3H2,1H3,(H,4,5)/p-1.
What are the key properties of 2-methylsulfonyloxyethanesulfinate?
2-methylsulfonyloxyethanesulfinate has a molecular weight of 187.22 g/mol, XLogP of -1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyloxyethanesulfinate is sourced from PubChem (CID 175079217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).