sulfurous acid cyanide

CH2NO3S- — CID 172811320

IUPACsulfurous acid cyanide
SMILESO=S(O)O.[C-]#N
InChIInChI=1S/CN.H2O3S/c1-2;1-4(2)3/h;(H2,1,2,3)/q-1;
InChIKeySFFAAKYXQJFBPL-UHFFFAOYSA-N
MW108.10 g/mol
LogP-0.22
Rot. Bonds

About sulfurous acid cyanide

sulfurous acid cyanide (PubChem CID 172811320) has the molecular formula CH2NO3S- and a molecular weight of 108.10 g/mol. Its IUPAC name is sulfurous acid cyanide.

Molecular Properties

Compound Namesulfurous acid cyanide
PubChem CID172811320
Molecular FormulaCH2NO3S-
Molecular Weight108.10 g/mol
Exact Mass107.98
IUPAC Namesulfurous acid cyanide
SMILESO=S(O)O.[C-]#N
InChIInChI=1S/CN.H2O3S/c1-2;1-4(2)3/h;(H2,1,2,3)/q-1;
InChIKeySFFAAKYXQJFBPL-UHFFFAOYSA-N
XLogP-0.22
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sulfurous acid cyanide?
The IUPAC name of sulfurous acid cyanide (CID 172811320) is sulfurous acid cyanide.
What is the SMILES notation for sulfurous acid cyanide?
The canonical SMILES for sulfurous acid cyanide is O=S(O)O.[C-]#N.
What is the InChIKey of sulfurous acid cyanide?
The InChIKey is SFFAAKYXQJFBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/CN.H2O3S/c1-2;1-4(2)3/h;(H2,1,2,3)/q-1;.
What are the key properties of sulfurous acid cyanide?
sulfurous acid cyanide has a molecular weight of 108.10 g/mol, XLogP of -0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfurous acid cyanide is sourced from PubChem (CID 172811320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).