sulfane;1,3,5-triazine-2-sulfonic acid

C3H5N3O3S2 — CID 173288325

IUPACsulfane;1,3,5-triazine-2-sulfonic acid
SMILESO=S(=O)(O)c1ncncn1.S
InChIInChI=1S/C3H3N3O3S.H2S/c7-10(8,9)3-5-1-4-2-6-3;/h1-2H,(H,7,8,9);1H2
InChIKeyAYIKKMRTIORALG-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.77
Rot. Bonds1

About sulfane;1,3,5-triazine-2-sulfonic acid

sulfane;1,3,5-triazine-2-sulfonic acid (PubChem CID 173288325) has the molecular formula C3H5N3O3S2 and a molecular weight of 195.22 g/mol. Its IUPAC name is sulfane;1,3,5-triazine-2-sulfonic acid.

Molecular Properties

Compound Namesulfane;1,3,5-triazine-2-sulfonic acid
PubChem CID173288325
Molecular FormulaC3H5N3O3S2
Molecular Weight195.22 g/mol
Exact Mass194.98
IUPAC Namesulfane;1,3,5-triazine-2-sulfonic acid
SMILESO=S(=O)(O)c1ncncn1.S
InChIInChI=1S/C3H3N3O3S.H2S/c7-10(8,9)3-5-1-4-2-6-3;/h1-2H,(H,7,8,9);1H2
InChIKeyAYIKKMRTIORALG-UHFFFAOYSA-N
XLogP-0.77
TPSA93.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Fluoro-1,3,5-triazine-2-sulfonyl chloride
CID 87327518
1,3,5-Triazine-2-sulfonyl fluoride
CID 139392051
4-Amino-1,3,5-triazine-2-sulfonic acid
CID 15608174
1,3,5-Triazine-2-sulfonic acid
CID 19823940
1,3,5-Triazine-2-sulfonamide
CID 20026162
1,3,5-Triazine-2-sulfonyl chloride
CID 21612059
1,3,5-Triazine-2,4-disulfonic acid
CID 54377941
1,3,5-Triazine-2-sulfinate
CID 57191348
1,3,5-Triazine-2-sulfinic acid
CID 57191349
Amino 1,3,5-triazine-2-sulfonate
CID 57283303
2-Sulfinatosulfonyl-1,3,5-triazine
CID 69807604
4-Chloro-1,3,5-triazine-2-sulfonyl chloride
CID 87328580

Frequently Asked Questions

What is the IUPAC name of sulfane;1,3,5-triazine-2-sulfonic acid?
The IUPAC name of sulfane;1,3,5-triazine-2-sulfonic acid (CID 173288325) is sulfane;1,3,5-triazine-2-sulfonic acid.
What is the SMILES notation for sulfane;1,3,5-triazine-2-sulfonic acid?
The canonical SMILES for sulfane;1,3,5-triazine-2-sulfonic acid is O=S(=O)(O)c1ncncn1.S.
What is the InChIKey of sulfane;1,3,5-triazine-2-sulfonic acid?
The InChIKey is AYIKKMRTIORALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3S.H2S/c7-10(8,9)3-5-1-4-2-6-3;/h1-2H,(H,7,8,9);1H2.
What are the key properties of sulfane;1,3,5-triazine-2-sulfonic acid?
sulfane;1,3,5-triazine-2-sulfonic acid has a molecular weight of 195.22 g/mol, XLogP of -0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;1,3,5-triazine-2-sulfonic acid is sourced from PubChem (CID 173288325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).