1,3,5-triazine-2-sulfinate

C3H2N3O2S- — CID 57191348

IUPAC1,3,5-triazine-2-sulfinate
SMILESO=S([O-])c1ncncn1
InChIInChI=1S/C3H3N3O2S/c7-9(8)3-5-1-4-2-6-3/h1-2H,(H,7,8)/p-1
InChIKeyVYLNTZOZBWCAQQ-UHFFFAOYSA-M
MW144.14 g/mol
LogP-0.89
Rot. Bonds1

About 1,3,5-triazine-2-sulfinate

1,3,5-triazine-2-sulfinate (PubChem CID 57191348) has the molecular formula C3H2N3O2S- and a molecular weight of 144.14 g/mol. Its IUPAC name is 1,3,5-triazine-2-sulfinate.

Molecular Properties

Compound Name1,3,5-triazine-2-sulfinate
PubChem CID57191348
Molecular FormulaC3H2N3O2S-
Molecular Weight144.14 g/mol
Exact Mass143.99
IUPAC Name1,3,5-triazine-2-sulfinate
SMILESO=S([O-])c1ncncn1
InChIInChI=1S/C3H3N3O2S/c7-9(8)3-5-1-4-2-6-3/h1-2H,(H,7,8)/p-1
InChIKeyVYLNTZOZBWCAQQ-UHFFFAOYSA-M
XLogP-0.89
TPSA78.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,3,5-triazine-2-sulfinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine-2-sulfinate?
The IUPAC name of 1,3,5-triazine-2-sulfinate (CID 57191348) is 1,3,5-triazine-2-sulfinate.
What is the SMILES notation for 1,3,5-triazine-2-sulfinate?
The canonical SMILES for 1,3,5-triazine-2-sulfinate is O=S([O-])c1ncncn1.
What is the InChIKey of 1,3,5-triazine-2-sulfinate?
The InChIKey is VYLNTZOZBWCAQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H3N3O2S/c7-9(8)3-5-1-4-2-6-3/h1-2H,(H,7,8)/p-1.
What are the key properties of 1,3,5-triazine-2-sulfinate?
1,3,5-triazine-2-sulfinate has a molecular weight of 144.14 g/mol, XLogP of -0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine-2-sulfinate is sourced from PubChem (CID 57191348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).