dichloro(oxido)sulfanium;sulfamic acid

H3Cl2NO4S2 — CID 173003567

IUPACdichloro(oxido)sulfanium;sulfamic acid
SMILESNS(=O)(=O)O.[O-][S+](Cl)Cl
InChIInChI=1S/Cl2OS.H3NO3S/c1-4(2)3;1-5(2,3)4/h;(H3,1,2,3,4)
InChIKeyMDOLHRFTYDURRO-UHFFFAOYSA-N
MW216.07 g/mol
LogP-0.21
Rot. Bonds

About dichloro(oxido)sulfanium;sulfamic acid

dichloro(oxido)sulfanium;sulfamic acid (PubChem CID 173003567) has the molecular formula H3Cl2NO4S2 and a molecular weight of 216.07 g/mol. Its IUPAC name is dichloro(oxido)sulfanium;sulfamic acid.

Molecular Properties

Compound Namedichloro(oxido)sulfanium;sulfamic acid
PubChem CID173003567
Molecular FormulaH3Cl2NO4S2
Molecular Weight216.07 g/mol
Exact Mass214.89
IUPAC Namedichloro(oxido)sulfanium;sulfamic acid
SMILESNS(=O)(=O)O.[O-][S+](Cl)Cl
InChIInChI=1S/Cl2OS.H3NO3S/c1-4(2)3;1-5(2,3)4/h;(H3,1,2,3,4)
InChIKeyMDOLHRFTYDURRO-UHFFFAOYSA-N
XLogP-0.21
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro(oxido)sulfanium;sulfamic acid?
The IUPAC name of dichloro(oxido)sulfanium;sulfamic acid (CID 173003567) is dichloro(oxido)sulfanium;sulfamic acid.
What is the SMILES notation for dichloro(oxido)sulfanium;sulfamic acid?
The canonical SMILES for dichloro(oxido)sulfanium;sulfamic acid is NS(=O)(=O)O.[O-][S+](Cl)Cl.
What is the InChIKey of dichloro(oxido)sulfanium;sulfamic acid?
The InChIKey is MDOLHRFTYDURRO-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl2OS.H3NO3S/c1-4(2)3;1-5(2,3)4/h;(H3,1,2,3,4).
What are the key properties of dichloro(oxido)sulfanium;sulfamic acid?
dichloro(oxido)sulfanium;sulfamic acid has a molecular weight of 216.07 g/mol, XLogP of -0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(oxido)sulfanium;sulfamic acid is sourced from PubChem (CID 173003567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).