bis(2-aminoacetonitrile);sulfurous acid

C4H10N4O3S — CID 174535100

IUPACbis(2-aminoacetonitrile);sulfurous acid
SMILESN#CCN.N#CCN.O=S(O)O
InChIInChI=1S/2C2H4N2.H2O3S/c2*3-1-2-4;1-4(2)3/h2*1,3H2;(H2,1,2,3)
InChIKeyUVHIACODKNOGFM-UHFFFAOYSA-N
MW194.22 g/mol
LogP-1.38
Rot. Bonds

About bis(2-aminoacetonitrile);sulfurous acid

bis(2-aminoacetonitrile);sulfurous acid (PubChem CID 174535100) has the molecular formula C4H10N4O3S and a molecular weight of 194.22 g/mol. Its IUPAC name is bis(2-aminoacetonitrile);sulfurous acid.

Molecular Properties

Compound Namebis(2-aminoacetonitrile);sulfurous acid
PubChem CID174535100
Molecular FormulaC4H10N4O3S
Molecular Weight194.22 g/mol
Exact Mass194.05
IUPAC Namebis(2-aminoacetonitrile);sulfurous acid
SMILESN#CCN.N#CCN.O=S(O)O
InChIInChI=1S/2C2H4N2.H2O3S/c2*3-1-2-4;1-4(2)3/h2*1,3H2;(H2,1,2,3)
InChIKeyUVHIACODKNOGFM-UHFFFAOYSA-N
XLogP-1.38
TPSA157.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-aminoacetonitrile);sulfurous acid?
The IUPAC name of bis(2-aminoacetonitrile);sulfurous acid (CID 174535100) is bis(2-aminoacetonitrile);sulfurous acid.
What is the SMILES notation for bis(2-aminoacetonitrile);sulfurous acid?
The canonical SMILES for bis(2-aminoacetonitrile);sulfurous acid is N#CCN.N#CCN.O=S(O)O.
What is the InChIKey of bis(2-aminoacetonitrile);sulfurous acid?
The InChIKey is UVHIACODKNOGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4N2.H2O3S/c2*3-1-2-4;1-4(2)3/h2*1,3H2;(H2,1,2,3).
What are the key properties of bis(2-aminoacetonitrile);sulfurous acid?
bis(2-aminoacetonitrile);sulfurous acid has a molecular weight of 194.22 g/mol, XLogP of -1.38, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoacetonitrile);sulfurous acid is sourced from PubChem (CID 174535100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).