sulfurous acid;1,3,5-triazine

C3H5N3O3S — CID 23033120

IUPACsulfurous acid;1,3,5-triazine
SMILESO=S(O)O.c1ncncn1
InChIInChI=1S/C3H3N3.H2O3S/c1-4-2-6-3-5-1;1-4(2)3/h1-3H;(H2,1,2,3)
InChIKeyCQBDJNRJBNXAMD-UHFFFAOYSA-N
MW163.16 g/mol
LogP-0.45
Rot. Bonds

About sulfurous acid;1,3,5-triazine

sulfurous acid;1,3,5-triazine (PubChem CID 23033120) has the molecular formula C3H5N3O3S and a molecular weight of 163.16 g/mol. Its IUPAC name is sulfurous acid;1,3,5-triazine.

Molecular Properties

Compound Namesulfurous acid;1,3,5-triazine
PubChem CID23033120
Molecular FormulaC3H5N3O3S
Molecular Weight163.16 g/mol
Exact Mass163.01
IUPAC Namesulfurous acid;1,3,5-triazine
SMILESO=S(O)O.c1ncncn1
InChIInChI=1S/C3H3N3.H2O3S/c1-4-2-6-3-5-1;1-4(2)3/h1-3H;(H2,1,2,3)
InChIKeyCQBDJNRJBNXAMD-UHFFFAOYSA-N
XLogP-0.45
TPSA96.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.16
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Water s-triazine
CID 21798619
1-Hydroxy-1,3,5-triazin-1-ium
CID 123616334
Sulfuric acid;1,3,5-triazine
CID 20535505
Sulfane;1,3,5-triazine
CID 22726397
1,3,5-Triazin-1-ium-1-yl hydrogen sulfate
CID 53704843
1,3,5-Trihydroxy-1,3,5-triazine-1,3,5-triium
CID 57126185
1,3,5-Triazin-2-yl sulfite
CID 57266637
Sulfuric acid;1,3,5-triazin-2-amine
CID 66602144
Sulfamic acid;1,3,5-triazin-2-amine
CID 67707691
1,3,5-Triazine;hexahydrate
CID 67940904
(1,3,5-Triazin-2-yl)boronic acid
CID 69107599
Sulfo(1,3,5-triazin-2-yl)sulfamic acid
CID 69289906

Frequently Asked Questions

What is the IUPAC name of sulfurous acid;1,3,5-triazine?
The IUPAC name of sulfurous acid;1,3,5-triazine (CID 23033120) is sulfurous acid;1,3,5-triazine.
What is the SMILES notation for sulfurous acid;1,3,5-triazine?
The canonical SMILES for sulfurous acid;1,3,5-triazine is O=S(O)O.c1ncncn1.
What is the InChIKey of sulfurous acid;1,3,5-triazine?
The InChIKey is CQBDJNRJBNXAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.H2O3S/c1-4-2-6-3-5-1;1-4(2)3/h1-3H;(H2,1,2,3).
What are the key properties of sulfurous acid;1,3,5-triazine?
sulfurous acid;1,3,5-triazine has a molecular weight of 163.16 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfurous acid;1,3,5-triazine is sourced from PubChem (CID 23033120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).