8-sulfosulfanylquinoline

C9H7NO3S2 — CID 175491006

IUPAC8-sulfosulfanylquinoline
SMILESO=S(=O)(O)Sc1cccc2cccnc12
InChIInChI=1S/C9H7NO3S2/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8/h1-6H,(H,11,12,13)
InChIKeyDQGZGBQCLCNPNW-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.13
Rot. Bonds2

About 8-sulfosulfanylquinoline

8-sulfosulfanylquinoline (PubChem CID 175491006) has the molecular formula C9H7NO3S2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 8-sulfosulfanylquinoline.

Molecular Properties

Compound Name8-sulfosulfanylquinoline
PubChem CID175491006
Molecular FormulaC9H7NO3S2
Molecular Weight241.29 g/mol
Exact Mass240.99
IUPAC Name8-sulfosulfanylquinoline
SMILESO=S(=O)(O)Sc1cccc2cccnc12
InChIInChI=1S/C9H7NO3S2/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8/h1-6H,(H,11,12,13)
InChIKeyDQGZGBQCLCNPNW-UHFFFAOYSA-N
XLogP2.13
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-S,2-S-diquinolin-8-yl ethanebis(thioate)
CID 2318009
potassium;quinolin-8-olate;sulfuric acid
CID 170843806
8-(2-ethylsulfonylethylsulfanyl)quinoline
CID 4191456
1-phenyl-2-quinolin-8-ylsulfanylethanone
CID 23884541
dipotassium;quinolin-8-ol;sulfate
CID 24820574
ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
CID 54604144
CID 54604144
quinolin-8-ol;yttrium
CID 174635627
oxozinc;quinolin-8-ol
CID 174943156
CID 70016201
CID 70016201
tetrapotassium;bis(quinolin-8-olate);sulfate
CID 170905215
palladium;quinoline-8-carboxylic acid
CID 174945118

Frequently Asked Questions

What is the IUPAC name of 8-sulfosulfanylquinoline?
The IUPAC name of 8-sulfosulfanylquinoline (CID 175491006) is 8-sulfosulfanylquinoline.
What is the SMILES notation for 8-sulfosulfanylquinoline?
The canonical SMILES for 8-sulfosulfanylquinoline is O=S(=O)(O)Sc1cccc2cccnc12.
What is the InChIKey of 8-sulfosulfanylquinoline?
The InChIKey is DQGZGBQCLCNPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S2/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8/h1-6H,(H,11,12,13).
What are the key properties of 8-sulfosulfanylquinoline?
8-sulfosulfanylquinoline has a molecular weight of 241.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-sulfosulfanylquinoline is sourced from PubChem (CID 175491006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).