methoxysulfonothioylmethanesulfonic acid

C2H6O5S3 — CID 150954828

IUPACmethoxysulfonothioylmethanesulfonic acid
SMILESCOS(=O)(=S)CS(=O)(=O)O
InChIInChI=1S/C2H6O5S3/c1-7-10(6,8)2-9(3,4)5/h2H2,1H3,(H,3,4,5)
InChIKeyLKVXTWZTGPYMLV-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.86
Rot. Bonds3

About methoxysulfonothioylmethanesulfonic acid

methoxysulfonothioylmethanesulfonic acid (PubChem CID 150954828) has the molecular formula C2H6O5S3 and a molecular weight of 206.27 g/mol. Its IUPAC name is methoxysulfonothioylmethanesulfonic acid.

Molecular Properties

Compound Namemethoxysulfonothioylmethanesulfonic acid
PubChem CID150954828
Molecular FormulaC2H6O5S3
Molecular Weight206.27 g/mol
Exact Mass205.94
IUPAC Namemethoxysulfonothioylmethanesulfonic acid
SMILESCOS(=O)(=S)CS(=O)(=O)O
InChIInChI=1S/C2H6O5S3/c1-7-10(6,8)2-9(3,4)5/h2H2,1H3,(H,3,4,5)
InChIKeyLKVXTWZTGPYMLV-UHFFFAOYSA-N
XLogP-0.86
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.86
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

methoxysulfonodithioylmethanesulfonic acid
CID 175915473
ethyl-methoxy-oxo-sulfanylidene-λ6-sulfane
CID 59395365
copper;methanedisulfonic acid
CID 88584534
CID 131856458
CID 131856458
barium(2+);methanedisulfonic acid
CID 54611525
azane;ethene;methyl hydrogen sulfate
CID 175445348
azane;ethanol;sulfurothioic O-acid
CID 175527325
butane;methyl methanesulfonate
CID 174496202
sulfurothioic O-acid;uranium
CID 174777711
CID 72786756
CID 72786756
tert-butyl N-(10-methoxysulfonothioyldecyl)carbamate
CID 5052278
methyl hydrogen sulfate;hydrobromide
CID 87338714

Frequently Asked Questions

What is the IUPAC name of methoxysulfonothioylmethanesulfonic acid?
The IUPAC name of methoxysulfonothioylmethanesulfonic acid (CID 150954828) is methoxysulfonothioylmethanesulfonic acid.
What is the SMILES notation for methoxysulfonothioylmethanesulfonic acid?
The canonical SMILES for methoxysulfonothioylmethanesulfonic acid is COS(=O)(=S)CS(=O)(=O)O.
What is the InChIKey of methoxysulfonothioylmethanesulfonic acid?
The InChIKey is LKVXTWZTGPYMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O5S3/c1-7-10(6,8)2-9(3,4)5/h2H2,1H3,(H,3,4,5).
What are the key properties of methoxysulfonothioylmethanesulfonic acid?
methoxysulfonothioylmethanesulfonic acid has a molecular weight of 206.27 g/mol, XLogP of -0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxysulfonothioylmethanesulfonic acid is sourced from PubChem (CID 150954828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).