1H-1,2,4-triazole-3,5-disulfonyl chloride

C2HCl2N3O4S2 — CID 87264817

IUPAC1H-1,2,4-triazole-3,5-disulfonyl chloride
SMILESO=S(=O)(Cl)c1n[nH]c(S(=O)(=O)Cl)n1
InChIInChI=1S/C2HCl2N3O4S2/c3-12(8,9)1-5-2(7-6-1)13(4,10)11/h(H,5,6,7)
InChIKeyIJZNGAUXKVUZLE-UHFFFAOYSA-N
MW266.09 g/mol
LogP-0.34
Rot. Bonds2

About 1H-1,2,4-triazole-3,5-disulfonyl chloride

1H-1,2,4-triazole-3,5-disulfonyl chloride (PubChem CID 87264817) has the molecular formula C2HCl2N3O4S2 and a molecular weight of 266.09 g/mol. Its IUPAC name is 1H-1,2,4-triazole-3,5-disulfonyl chloride.

Molecular Properties

Compound Name1H-1,2,4-triazole-3,5-disulfonyl chloride
PubChem CID87264817
Molecular FormulaC2HCl2N3O4S2
Molecular Weight266.09 g/mol
Exact Mass264.88
IUPAC Name1H-1,2,4-triazole-3,5-disulfonyl chloride
SMILESO=S(=O)(Cl)c1n[nH]c(S(=O)(=O)Cl)n1
InChIInChI=1S/C2HCl2N3O4S2/c3-12(8,9)1-5-2(7-6-1)13(4,10)11/h(H,5,6,7)
InChIKeyIJZNGAUXKVUZLE-UHFFFAOYSA-N
XLogP-0.34
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1H-1,2,4-triazole-3,5-disulfonyl chloride?
The IUPAC name of 1H-1,2,4-triazole-3,5-disulfonyl chloride (CID 87264817) is 1H-1,2,4-triazole-3,5-disulfonyl chloride.
What is the SMILES notation for 1H-1,2,4-triazole-3,5-disulfonyl chloride?
The canonical SMILES for 1H-1,2,4-triazole-3,5-disulfonyl chloride is O=S(=O)(Cl)c1n[nH]c(S(=O)(=O)Cl)n1.
What is the InChIKey of 1H-1,2,4-triazole-3,5-disulfonyl chloride?
The InChIKey is IJZNGAUXKVUZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HCl2N3O4S2/c3-12(8,9)1-5-2(7-6-1)13(4,10)11/h(H,5,6,7).
What are the key properties of 1H-1,2,4-triazole-3,5-disulfonyl chloride?
1H-1,2,4-triazole-3,5-disulfonyl chloride has a molecular weight of 266.09 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,2,4-triazole-3,5-disulfonyl chloride is sourced from PubChem (CID 87264817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).