methanesulfonic acid;methylsulfanylmethane

C3H10O3S2 — CID 174896398

IUPACmethanesulfonic acid;methylsulfanylmethane
SMILESCS(=O)(=O)O.CSC
InChIInChI=1S/C2H6S.CH4O3S/c1-3-2;1-5(2,3)4/h1-2H3;1H3,(H,2,3,4)
InChIKeyGCQCRDKKCMRHMM-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.48
Rot. Bonds

About methanesulfonic acid;methylsulfanylmethane

methanesulfonic acid;methylsulfanylmethane (PubChem CID 174896398) has the molecular formula C3H10O3S2 and a molecular weight of 158.24 g/mol. Its IUPAC name is methanesulfonic acid;methylsulfanylmethane.

Molecular Properties

Compound Namemethanesulfonic acid;methylsulfanylmethane
PubChem CID174896398
Molecular FormulaC3H10O3S2
Molecular Weight158.24 g/mol
Exact Mass158.01
IUPAC Namemethanesulfonic acid;methylsulfanylmethane
SMILESCS(=O)(=O)O.CSC
InChIInChI=1S/C2H6S.CH4O3S/c1-3-2;1-5(2,3)4/h1-2H3;1H3,(H,2,3,4)
InChIKeyGCQCRDKKCMRHMM-UHFFFAOYSA-N
XLogP0.48
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 87129852
CID 87129852
hydron;methanesulfonic acid
CID 19767432
methanesulfonic acid;hydrate
CID 87278985
methanesulfonic acid;stibane
CID 173129060
ethane;methanesulfonic acid
CID 87194848
CID 72786756
CID 72786756
methane;methanesulfonic acid
CID 87535456
sodium;methanesulfonic acid;iodide
CID 87541742
methanesulfonic acid;yttrium;hydrofluoride
CID 174922283
azane;methanesulfonic acid;hydrate
CID 141152760
hafnium;methanesulfonic acid;hydrofluoride
CID 174915854
methanesulfonic acid;samarium(3+);trifluoride
CID 160663065

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;methylsulfanylmethane?
The IUPAC name of methanesulfonic acid;methylsulfanylmethane (CID 174896398) is methanesulfonic acid;methylsulfanylmethane.
What is the SMILES notation for methanesulfonic acid;methylsulfanylmethane?
The canonical SMILES for methanesulfonic acid;methylsulfanylmethane is CS(=O)(=O)O.CSC.
What is the InChIKey of methanesulfonic acid;methylsulfanylmethane?
The InChIKey is GCQCRDKKCMRHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S.CH4O3S/c1-3-2;1-5(2,3)4/h1-2H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;methylsulfanylmethane?
methanesulfonic acid;methylsulfanylmethane has a molecular weight of 158.24 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;methylsulfanylmethane is sourced from PubChem (CID 174896398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).