disulfosulfamic acid;methanesulfonic acid

CH7NO12S4 — CID 88812800

IUPACdisulfosulfamic acid;methanesulfonic acid
SMILESCS(=O)(=O)O.O=S(=O)(O)N(S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/CH4O3S.H3NO9S3/c1-5(2,3)4;2-11(3,4)1(12(5,6)7)13(8,9)10/h1H3,(H,2,3,4);(H,2,3,4)(H,5,6,7)(H,8,9,10)
InChIKeySCFGAEGWDGXSCO-UHFFFAOYSA-N
MW353.33 g/mol
LogP-2.80
Rot. Bonds3

About disulfosulfamic acid;methanesulfonic acid

disulfosulfamic acid;methanesulfonic acid (PubChem CID 88812800) has the molecular formula CH7NO12S4 and a molecular weight of 353.33 g/mol. Its IUPAC name is disulfosulfamic acid;methanesulfonic acid.

Molecular Properties

Compound Namedisulfosulfamic acid;methanesulfonic acid
PubChem CID88812800
Molecular FormulaCH7NO12S4
Molecular Weight353.33 g/mol
Exact Mass352.89
IUPAC Namedisulfosulfamic acid;methanesulfonic acid
SMILESCS(=O)(=O)O.O=S(=O)(O)N(S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/CH4O3S.H3NO9S3/c1-5(2,3)4;2-11(3,4)1(12(5,6)7)13(8,9)10/h1H3,(H,2,3,4);(H,2,3,4)(H,5,6,7)(H,8,9,10)
InChIKeySCFGAEGWDGXSCO-UHFFFAOYSA-N
XLogP-2.80
TPSA220.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 5-2.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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
methanesulfonic acid;samarium(3+);trifluoride
CID 160663065
hafnium;methanesulfonic acid;hydrofluoride
CID 174915854
azane;methanesulfonic acid;hydrate
CID 141152760

Frequently Asked Questions

What is the IUPAC name of disulfosulfamic acid;methanesulfonic acid?
The IUPAC name of disulfosulfamic acid;methanesulfonic acid (CID 88812800) is disulfosulfamic acid;methanesulfonic acid.
What is the SMILES notation for disulfosulfamic acid;methanesulfonic acid?
The canonical SMILES for disulfosulfamic acid;methanesulfonic acid is CS(=O)(=O)O.O=S(=O)(O)N(S(=O)(=O)O)S(=O)(=O)O.
What is the InChIKey of disulfosulfamic acid;methanesulfonic acid?
The InChIKey is SCFGAEGWDGXSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O3S.H3NO9S3/c1-5(2,3)4;2-11(3,4)1(12(5,6)7)13(8,9)10/h1H3,(H,2,3,4);(H,2,3,4)(H,5,6,7)(H,8,9,10).
What are the key properties of disulfosulfamic acid;methanesulfonic acid?
disulfosulfamic acid;methanesulfonic acid has a molecular weight of 353.33 g/mol, XLogP of -2.80, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disulfosulfamic acid;methanesulfonic acid is sourced from PubChem (CID 88812800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).