methanesulfonic acid;hydrate;hydrochloride

CH7ClO4S — CID 140967673

IUPACmethanesulfonic acid;hydrate;hydrochloride
SMILESCS(=O)(=O)O.Cl.O
InChIInChI=1S/CH4O3S.ClH.H2O/c1-5(2,3)4;;/h1H3,(H,2,3,4);1H;1H2
InChIKeyXKCSREXOJQSTPY-UHFFFAOYSA-N
MW150.58 g/mol
LogP-0.90
Rot. Bonds

About methanesulfonic acid;hydrate;hydrochloride

methanesulfonic acid;hydrate;hydrochloride (PubChem CID 140967673) has the molecular formula CH7ClO4S and a molecular weight of 150.58 g/mol. Its IUPAC name is methanesulfonic acid;hydrate;hydrochloride.

Molecular Properties

Compound Namemethanesulfonic acid;hydrate;hydrochloride
PubChem CID140967673
Molecular FormulaCH7ClO4S
Molecular Weight150.58 g/mol
Exact Mass149.98
IUPAC Namemethanesulfonic acid;hydrate;hydrochloride
SMILESCS(=O)(=O)O.Cl.O
InChIInChI=1S/CH4O3S.ClH.H2O/c1-5(2,3)4;;/h1H3,(H,2,3,4);1H;1H2
InChIKeyXKCSREXOJQSTPY-UHFFFAOYSA-N
XLogP-0.90
TPSA85.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.58
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methanesulfonic acid;hydrate
CID 87278985
azane;methanesulfonic acid;hydrate
CID 141152760
hydroxylamine;methanesulfonic acid;hydrochloride
CID 87157729
ethane;methanesulfonic acid
CID 87194848
CID 87129852
CID 87129852
hydron;methanesulfonic acid
CID 19767432
methanesulfonic acid;stibane
CID 173129060
CID 72786756
CID 72786756
methane;methanesulfonic acid
CID 87535456
hafnium;methanesulfonic acid;hydrofluoride
CID 174915854
methanesulfonic acid;samarium(3+);trifluoride
CID 160663065
methanesulfonic acid;yttrium;hydrofluoride
CID 174922283

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;hydrate;hydrochloride?
The IUPAC name of methanesulfonic acid;hydrate;hydrochloride (CID 140967673) is methanesulfonic acid;hydrate;hydrochloride.
What is the SMILES notation for methanesulfonic acid;hydrate;hydrochloride?
The canonical SMILES for methanesulfonic acid;hydrate;hydrochloride is CS(=O)(=O)O.Cl.O.
What is the InChIKey of methanesulfonic acid;hydrate;hydrochloride?
The InChIKey is XKCSREXOJQSTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O3S.ClH.H2O/c1-5(2,3)4;;/h1H3,(H,2,3,4);1H;1H2.
What are the key properties of methanesulfonic acid;hydrate;hydrochloride?
methanesulfonic acid;hydrate;hydrochloride has a molecular weight of 150.58 g/mol, XLogP of -0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;hydrate;hydrochloride is sourced from PubChem (CID 140967673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).