isocyanic acid;sulfurous acid

CH5NO7S2 — CID 88789907

IUPACisocyanic acid;sulfurous acid
SMILESN=C=O.O=S(O)O.O=S(O)O
InChIInChI=1S/CHNO.2H2O3S/c2-1-3;2*1-4(2)3/h2H;2*(H2,1,2,3)
InChIKeyPAGHQVUWILBERE-UHFFFAOYSA-N
MW207.18 g/mol
LogP-0.74
Rot. Bonds

About isocyanic acid;sulfurous acid

isocyanic acid;sulfurous acid (PubChem CID 88789907) has the molecular formula CH5NO7S2 and a molecular weight of 207.18 g/mol. Its IUPAC name is isocyanic acid;sulfurous acid.

Molecular Properties

Compound Nameisocyanic acid;sulfurous acid
PubChem CID88789907
Molecular FormulaCH5NO7S2
Molecular Weight207.18 g/mol
Exact Mass206.95
IUPAC Nameisocyanic acid;sulfurous acid
SMILESN=C=O.O=S(O)O.O=S(O)O
InChIInChI=1S/CHNO.2H2O3S/c2-1-3;2*1-4(2)3/h2H;2*(H2,1,2,3)
InChIKeyPAGHQVUWILBERE-UHFFFAOYSA-N
XLogP-0.74
TPSA155.98 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 5-0.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of isocyanic acid;sulfurous acid?
The IUPAC name of isocyanic acid;sulfurous acid (CID 88789907) is isocyanic acid;sulfurous acid.
What is the SMILES notation for isocyanic acid;sulfurous acid?
The canonical SMILES for isocyanic acid;sulfurous acid is N=C=O.O=S(O)O.O=S(O)O.
What is the InChIKey of isocyanic acid;sulfurous acid?
The InChIKey is PAGHQVUWILBERE-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNO.2H2O3S/c2-1-3;2*1-4(2)3/h2H;2*(H2,1,2,3).
What are the key properties of isocyanic acid;sulfurous acid?
isocyanic acid;sulfurous acid has a molecular weight of 207.18 g/mol, XLogP of -0.74, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;sulfurous acid is sourced from PubChem (CID 88789907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).