2-sulfidooxadiazol-2-ium

C2H2N2OS — CID 22009551

IUPAC2-sulfidooxadiazol-2-ium
SMILES[S-][n+]1ncco1
InChIInChI=1S/C2H2N2OS/c6-4-3-1-2-5-4/h1-2H
InChIKeyXKUBCSKKLNAFEN-UHFFFAOYSA-N
MW102.12 g/mol
LogP-0.73
Rot. Bonds

About 2-sulfidooxadiazol-2-ium

2-sulfidooxadiazol-2-ium (PubChem CID 22009551) has the molecular formula C2H2N2OS and a molecular weight of 102.12 g/mol. Its IUPAC name is 2-sulfidooxadiazol-2-ium.

Molecular Properties

Compound Name2-sulfidooxadiazol-2-ium
PubChem CID22009551
Molecular FormulaC2H2N2OS
Molecular Weight102.12 g/mol
Exact Mass101.99
IUPAC Name2-sulfidooxadiazol-2-ium
SMILES[S-][n+]1ncco1
InChIInChI=1S/C2H2N2OS/c6-4-3-1-2-5-4/h1-2H
InChIKeyXKUBCSKKLNAFEN-UHFFFAOYSA-N
XLogP-0.73
TPSA29.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.12
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfidooxadiazol-2-ium?
The IUPAC name of 2-sulfidooxadiazol-2-ium (CID 22009551) is 2-sulfidooxadiazol-2-ium.
What is the SMILES notation for 2-sulfidooxadiazol-2-ium?
The canonical SMILES for 2-sulfidooxadiazol-2-ium is [S-][n+]1ncco1.
What is the InChIKey of 2-sulfidooxadiazol-2-ium?
The InChIKey is XKUBCSKKLNAFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2OS/c6-4-3-1-2-5-4/h1-2H.
What are the key properties of 2-sulfidooxadiazol-2-ium?
2-sulfidooxadiazol-2-ium has a molecular weight of 102.12 g/mol, XLogP of -0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfidooxadiazol-2-ium is sourced from PubChem (CID 22009551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).