1,3,5-triazine-2-sulfinic acid

C3H3N3O2S — CID 57191349

IUPAC1,3,5-triazine-2-sulfinic acid
SMILESO=S(O)c1ncncn1
InChIInChI=1S/C3H3N3O2S/c7-9(8)3-5-1-4-2-6-3/h1-2H,(H,7,8)
InChIKeyVYLNTZOZBWCAQQ-UHFFFAOYSA-N
MW145.14 g/mol
LogP-0.55
Rot. Bonds1

About 1,3,5-triazine-2-sulfinic acid

1,3,5-triazine-2-sulfinic acid (PubChem CID 57191349) has the molecular formula C3H3N3O2S and a molecular weight of 145.14 g/mol. Its IUPAC name is 1,3,5-triazine-2-sulfinic acid.

Molecular Properties

Compound Name1,3,5-triazine-2-sulfinic acid
PubChem CID57191349
Molecular FormulaC3H3N3O2S
Molecular Weight145.14 g/mol
Exact Mass144.99
IUPAC Name1,3,5-triazine-2-sulfinic acid
SMILESO=S(O)c1ncncn1
InChIInChI=1S/C3H3N3O2S/c7-9(8)3-5-1-4-2-6-3/h1-2H,(H,7,8)
InChIKeyVYLNTZOZBWCAQQ-UHFFFAOYSA-N
XLogP-0.55
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine-2-sulfinic acid?
The IUPAC name of 1,3,5-triazine-2-sulfinic acid (CID 57191349) is 1,3,5-triazine-2-sulfinic acid.
What is the SMILES notation for 1,3,5-triazine-2-sulfinic acid?
The canonical SMILES for 1,3,5-triazine-2-sulfinic acid is O=S(O)c1ncncn1.
What is the InChIKey of 1,3,5-triazine-2-sulfinic acid?
The InChIKey is VYLNTZOZBWCAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O2S/c7-9(8)3-5-1-4-2-6-3/h1-2H,(H,7,8).
What are the key properties of 1,3,5-triazine-2-sulfinic acid?
1,3,5-triazine-2-sulfinic acid has a molecular weight of 145.14 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine-2-sulfinic acid is sourced from PubChem (CID 57191349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).