3,5-diphenyldithiadiazole 2-oxide

C13H10N2OS2 — CID 142771214

IUPAC3,5-diphenyldithiadiazole 2-oxide
SMILESO=S1SC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C13H10N2OS2/c16-18-15(12-9-5-2-6-10-12)14-13(17-18)11-7-3-1-4-8-11/h1-10H
InChIKeyTYQGZLRHYFTSDD-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.18
Rot. Bonds2

About 3,5-diphenyldithiadiazole 2-oxide

3,5-diphenyldithiadiazole 2-oxide (PubChem CID 142771214) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 3,5-diphenyldithiadiazole 2-oxide.

Molecular Properties

Compound Name3,5-diphenyldithiadiazole 2-oxide
PubChem CID142771214
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC Name3,5-diphenyldithiadiazole 2-oxide
SMILESO=S1SC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C13H10N2OS2/c16-18-15(12-9-5-2-6-10-12)14-13(17-18)11-7-3-1-4-8-11/h1-10H
InChIKeyTYQGZLRHYFTSDD-UHFFFAOYSA-N
XLogP3.18
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyldithiadiazole 2-oxide?
The IUPAC name of 3,5-diphenyldithiadiazole 2-oxide (CID 142771214) is 3,5-diphenyldithiadiazole 2-oxide.
What is the SMILES notation for 3,5-diphenyldithiadiazole 2-oxide?
The canonical SMILES for 3,5-diphenyldithiadiazole 2-oxide is O=S1SC(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of 3,5-diphenyldithiadiazole 2-oxide?
The InChIKey is TYQGZLRHYFTSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c16-18-15(12-9-5-2-6-10-12)14-13(17-18)11-7-3-1-4-8-11/h1-10H.
What are the key properties of 3,5-diphenyldithiadiazole 2-oxide?
3,5-diphenyldithiadiazole 2-oxide has a molecular weight of 274.37 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyldithiadiazole 2-oxide is sourced from PubChem (CID 142771214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).