1,3,5-triazine-2,4-disulfonic acid

C3H3N3O6S2 — CID 54377941

IUPAC1,3,5-triazine-2,4-disulfonic acid
SMILESO=S(=O)(O)c1ncnc(S(=O)(=O)O)n1
InChIInChI=1S/C3H3N3O6S2/c7-13(8,9)2-4-1-5-3(6-2)14(10,11)12/h1H,(H,7,8,9)(H,10,11,12)
InChIKeyDFGHHJSCGWBISM-UHFFFAOYSA-N
MW241.21 g/mol
LogP-1.63
Rot. Bonds2

About 1,3,5-triazine-2,4-disulfonic acid

1,3,5-triazine-2,4-disulfonic acid (PubChem CID 54377941) has the molecular formula C3H3N3O6S2 and a molecular weight of 241.21 g/mol. Its IUPAC name is 1,3,5-triazine-2,4-disulfonic acid.

Molecular Properties

Compound Name1,3,5-triazine-2,4-disulfonic acid
PubChem CID54377941
Molecular FormulaC3H3N3O6S2
Molecular Weight241.21 g/mol
Exact Mass240.95
IUPAC Name1,3,5-triazine-2,4-disulfonic acid
SMILESO=S(=O)(O)c1ncnc(S(=O)(=O)O)n1
InChIInChI=1S/C3H3N3O6S2/c7-13(8,9)2-4-1-5-3(6-2)14(10,11)12/h1H,(H,7,8,9)(H,10,11,12)
InChIKeyDFGHHJSCGWBISM-UHFFFAOYSA-N
XLogP-1.63
TPSA147.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-sulfonyl chloride
CID 21612059
1,3,5-Triazine-2-sulfinate
CID 57191348
1,3,5-Triazine-2-sulfinic acid
CID 57191349
2-Sulfinatosulfonyl-1,3,5-triazine
CID 69807604
4-Chloro-1,3,5-triazine-2-sulfonyl chloride
CID 87328580
4-Methoxy-1,3,5-triazine-2-sulfonic acid
CID 88774859
1,3,5-Triazine-2,4-disulfonyl chloride
CID 88789072
Azane;1,3,5-triazine-2-sulfonic acid
CID 88834700

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine-2,4-disulfonic acid?
The IUPAC name of 1,3,5-triazine-2,4-disulfonic acid (CID 54377941) is 1,3,5-triazine-2,4-disulfonic acid.
What is the SMILES notation for 1,3,5-triazine-2,4-disulfonic acid?
The canonical SMILES for 1,3,5-triazine-2,4-disulfonic acid is O=S(=O)(O)c1ncnc(S(=O)(=O)O)n1.
What is the InChIKey of 1,3,5-triazine-2,4-disulfonic acid?
The InChIKey is DFGHHJSCGWBISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O6S2/c7-13(8,9)2-4-1-5-3(6-2)14(10,11)12/h1H,(H,7,8,9)(H,10,11,12).
What are the key properties of 1,3,5-triazine-2,4-disulfonic acid?
1,3,5-triazine-2,4-disulfonic acid has a molecular weight of 241.21 g/mol, XLogP of -1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine-2,4-disulfonic acid is sourced from PubChem (CID 54377941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).