methoxysulfonodithioylmethanesulfonic acid

C2H6O4S4 — CID 175915473

IUPACmethoxysulfonodithioylmethanesulfonic acid
SMILESCOS(=S)(=S)CS(=O)(=O)O
InChIInChI=1S/C2H6O4S4/c1-6-10(7,8)2-9(3,4)5/h2H2,1H3,(H,3,4,5)
InChIKeyJSZSTTMYBJIUGL-UHFFFAOYSA-N
MW222.33 g/mol
LogP-0.53
Rot. Bonds3

About methoxysulfonodithioylmethanesulfonic acid

methoxysulfonodithioylmethanesulfonic acid (PubChem CID 175915473) has the molecular formula C2H6O4S4 and a molecular weight of 222.33 g/mol. Its IUPAC name is methoxysulfonodithioylmethanesulfonic acid.

Molecular Properties

Compound Namemethoxysulfonodithioylmethanesulfonic acid
PubChem CID175915473
Molecular FormulaC2H6O4S4
Molecular Weight222.33 g/mol
Exact Mass221.91
IUPAC Namemethoxysulfonodithioylmethanesulfonic acid
SMILESCOS(=S)(=S)CS(=O)(=O)O
InChIInChI=1S/C2H6O4S4/c1-6-10(7,8)2-9(3,4)5/h2H2,1H3,(H,3,4,5)
InChIKeyJSZSTTMYBJIUGL-UHFFFAOYSA-N
XLogP-0.53
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

methoxysulfonothioylmethanesulfonic acid
CID 150954828
copper;methanedisulfonic acid
CID 88584534
CID 131856458
CID 131856458
barium(2+);methanedisulfonic acid
CID 54611525
sulfurothioic O-acid;uranium
CID 174777711
methyl hydrogen sulfate;hydrobromide
CID 87338714
copper;methyl hydrogen sulfate
CID 175275891
N-ethylethanamine;methyl hydrogen sulfate
CID 88690329
ethyl-methoxy-oxo-sulfanylidene-λ6-sulfane
CID 59395365
sodium;formic acid;methoxy-oxido-oxo-sulfanylidene-λ6-sulfane
CID 174270371
magnesium;sodium;hydride;methanedisulfonic acid
CID 174744552
(hydroxysulfonimidoyl)oxymethane
CID 58683502

Frequently Asked Questions

What is the IUPAC name of methoxysulfonodithioylmethanesulfonic acid?
The IUPAC name of methoxysulfonodithioylmethanesulfonic acid (CID 175915473) is methoxysulfonodithioylmethanesulfonic acid.
What is the SMILES notation for methoxysulfonodithioylmethanesulfonic acid?
The canonical SMILES for methoxysulfonodithioylmethanesulfonic acid is COS(=S)(=S)CS(=O)(=O)O.
What is the InChIKey of methoxysulfonodithioylmethanesulfonic acid?
The InChIKey is JSZSTTMYBJIUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4S4/c1-6-10(7,8)2-9(3,4)5/h2H2,1H3,(H,3,4,5).
What are the key properties of methoxysulfonodithioylmethanesulfonic acid?
methoxysulfonodithioylmethanesulfonic acid has a molecular weight of 222.33 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxysulfonodithioylmethanesulfonic acid is sourced from PubChem (CID 175915473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).