4-(disulfanyl)cinnoline

C8H6N2S2 — CID 91084277

IUPAC4-(disulfanyl)cinnoline
SMILESSSc1cnnc2ccccc12
InChIInChI=1S/C8H6N2S2/c11-12-8-5-9-10-7-4-2-1-3-6(7)8/h1-5,11H
InChIKeyGJQCUHZAPGMROE-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.57
Rot. Bonds1

About 4-(disulfanyl)cinnoline

4-(disulfanyl)cinnoline (PubChem CID 91084277) has the molecular formula C8H6N2S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-(disulfanyl)cinnoline.

Molecular Properties

Compound Name4-(disulfanyl)cinnoline
PubChem CID91084277
Molecular FormulaC8H6N2S2
Molecular Weight194.28 g/mol
Exact Mass194.00
IUPAC Name4-(disulfanyl)cinnoline
SMILESSSc1cnnc2ccccc12
InChIInChI=1S/C8H6N2S2/c11-12-8-5-9-10-7-4-2-1-3-6(7)8/h1-5,11H
InChIKeyGJQCUHZAPGMROE-UHFFFAOYSA-N
XLogP2.57
TPSA25.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-Methylcinnoline
CID 26843
4-(2-Phenylethenyl)cinnoline
CID 22797
4-Phenylcinnoline
CID 609867
Cinnoline
CID 9208
4-Styrylcinnoline
CID 6433479
4-Aminocinnoline
CID 817744
4-Chlorocinnoline
CID 10909904
4-(Methylthio)cinnoline
CID 236663
Cinnolin-5-amine
CID 387103
4-(Methylsulfonyl)cinnoline
CID 292500
Cinnoline--hydrogen chloride (1/1)
CID 16212094
6-Fluorocinnoline
CID 45090418

Frequently Asked Questions

What is the IUPAC name of 4-(disulfanyl)cinnoline?
The IUPAC name of 4-(disulfanyl)cinnoline (CID 91084277) is 4-(disulfanyl)cinnoline.
What is the SMILES notation for 4-(disulfanyl)cinnoline?
The canonical SMILES for 4-(disulfanyl)cinnoline is SSc1cnnc2ccccc12.
What is the InChIKey of 4-(disulfanyl)cinnoline?
The InChIKey is GJQCUHZAPGMROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S2/c11-12-8-5-9-10-7-4-2-1-3-6(7)8/h1-5,11H.
What are the key properties of 4-(disulfanyl)cinnoline?
4-(disulfanyl)cinnoline has a molecular weight of 194.28 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(disulfanyl)cinnoline is sourced from PubChem (CID 91084277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).