methanesulfonic acid;propane-1-sulfonic acid

C4H12O6S2 — CID 87924907

IUPACmethanesulfonic acid;propane-1-sulfonic acid
SMILESCCCS(=O)(=O)O.CS(=O)(=O)O
InChIInChI=1S/C3H8O3S.CH4O3S/c1-2-3-7(4,5)6;1-5(2,3)4/h2-3H2,1H3,(H,4,5,6);1H3,(H,2,3,4)
InChIKeyUELXZYHADKEJEY-UHFFFAOYSA-N
MW220.27 g/mol
LogP-0.21
Rot. Bonds2

About methanesulfonic acid;propane-1-sulfonic acid

methanesulfonic acid;propane-1-sulfonic acid (PubChem CID 87924907) has the molecular formula C4H12O6S2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methanesulfonic acid;propane-1-sulfonic acid.

Molecular Properties

Compound Namemethanesulfonic acid;propane-1-sulfonic acid
PubChem CID87924907
Molecular FormulaC4H12O6S2
Molecular Weight220.27 g/mol
Exact Mass220.01
IUPAC Namemethanesulfonic acid;propane-1-sulfonic acid
SMILESCCCS(=O)(=O)O.CS(=O)(=O)O
InChIInChI=1S/C3H8O3S.CH4O3S/c1-2-3-7(4,5)6;1-5(2,3)4/h2-3H2,1H3,(H,4,5,6);1H3,(H,2,3,4)
InChIKeyUELXZYHADKEJEY-UHFFFAOYSA-N
XLogP-0.21
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 121393600
CID 121393600
ethane;pentakis(propane-1-sulfonic acid)
CID 158893831
hydrazine;propane-1-sulfonic acid
CID 159325511
N-ethylethanamine;propane-1-sulfonic acid
CID 159426890
dioxetane;propane-1-sulfonic acid
CID 87756026
oxirane;propane-1-sulfonic acid
CID 161099007
2-(hydroxymethyl)-2-methylpropane-1,3-diol;tris(propane-1-sulfonic acid)
CID 160705274
propane-1,3-diamine;propane-1-sulfonic acid
CID 88791718
CID 172750944
CID 172750944
N-methylmethanamine;propane;propane-1-sulfonic acid;trimethoxysilane
CID 174056869
N,N-dimethylpropan-1-amine;propane-1-sulfonic acid
CID 173037314
sodium;ethoxyethane;hydride;propane-1-sulfonic acid
CID 174886586

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;propane-1-sulfonic acid?
The IUPAC name of methanesulfonic acid;propane-1-sulfonic acid (CID 87924907) is methanesulfonic acid;propane-1-sulfonic acid.
What is the SMILES notation for methanesulfonic acid;propane-1-sulfonic acid?
The canonical SMILES for methanesulfonic acid;propane-1-sulfonic acid is CCCS(=O)(=O)O.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;propane-1-sulfonic acid?
The InChIKey is UELXZYHADKEJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3S.CH4O3S/c1-2-3-7(4,5)6;1-5(2,3)4/h2-3H2,1H3,(H,4,5,6);1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;propane-1-sulfonic acid?
methanesulfonic acid;propane-1-sulfonic acid has a molecular weight of 220.27 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;propane-1-sulfonic acid is sourced from PubChem (CID 87924907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).