sulfurochloridic acid;2H-triazole

C2H4ClN3O3S — CID 174660262

IUPACsulfurochloridic acid;2H-triazole
SMILESO=S(=O)(O)Cl.c1cn[nH]n1
InChIInChI=1S/C2H3N3.ClHO3S/c1-2-4-5-3-1;1-5(2,3)4/h1-2H,(H,3,4,5);(H,2,3,4)
InChIKeyDQLNZTXYFHRXRV-UHFFFAOYSA-N
MW185.59 g/mol
LogP-0.17
Rot. Bonds

About sulfurochloridic acid;2H-triazole

sulfurochloridic acid;2H-triazole (PubChem CID 174660262) has the molecular formula C2H4ClN3O3S and a molecular weight of 185.59 g/mol. Its IUPAC name is sulfurochloridic acid;2H-triazole.

Molecular Properties

Compound Namesulfurochloridic acid;2H-triazole
PubChem CID174660262
Molecular FormulaC2H4ClN3O3S
Molecular Weight185.59 g/mol
Exact Mass184.97
IUPAC Namesulfurochloridic acid;2H-triazole
SMILESO=S(=O)(O)Cl.c1cn[nH]n1
InChIInChI=1S/C2H3N3.ClHO3S/c1-2-4-5-3-1;1-5(2,3)4/h1-2H,(H,3,4,5);(H,2,3,4)
InChIKeyDQLNZTXYFHRXRV-UHFFFAOYSA-N
XLogP-0.17
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.59
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sulfurochloridic acid;2H-triazole?
The IUPAC name of sulfurochloridic acid;2H-triazole (CID 174660262) is sulfurochloridic acid;2H-triazole.
What is the SMILES notation for sulfurochloridic acid;2H-triazole?
The canonical SMILES for sulfurochloridic acid;2H-triazole is O=S(=O)(O)Cl.c1cn[nH]n1.
What is the InChIKey of sulfurochloridic acid;2H-triazole?
The InChIKey is DQLNZTXYFHRXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3.ClHO3S/c1-2-4-5-3-1;1-5(2,3)4/h1-2H,(H,3,4,5);(H,2,3,4).
What are the key properties of sulfurochloridic acid;2H-triazole?
sulfurochloridic acid;2H-triazole has a molecular weight of 185.59 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfurochloridic acid;2H-triazole is sourced from PubChem (CID 174660262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).