4-(disulfanyl)quinoline

C9H7NS2 — CID 123289875

IUPAC4-(disulfanyl)quinoline
SMILESSSc1ccnc2ccccc12
InChIInChI=1S/C9H7NS2/c11-12-9-5-6-10-8-4-2-1-3-7(8)9/h1-6,11H
InChIKeyLDYQIGZEBRRWDP-UHFFFAOYSA-N
MW193.30 g/mol
LogP3.17
Rot. Bonds1

About 4-(disulfanyl)quinoline

4-(disulfanyl)quinoline (PubChem CID 123289875) has the molecular formula C9H7NS2 and a molecular weight of 193.30 g/mol. Its IUPAC name is 4-(disulfanyl)quinoline.

Molecular Properties

Compound Name4-(disulfanyl)quinoline
PubChem CID123289875
Molecular FormulaC9H7NS2
Molecular Weight193.30 g/mol
Exact Mass193.00
IUPAC Name4-(disulfanyl)quinoline
SMILESSSc1ccnc2ccccc12
InChIInChI=1S/C9H7NS2/c11-12-9-5-6-10-8-4-2-1-3-7(8)9/h1-6,11H
InChIKeyLDYQIGZEBRRWDP-UHFFFAOYSA-N
XLogP3.17
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(disulfanyl)cinnoline
CID 91084277
2-methyl-3-quinolin-4-ylsulfanylpropan-1-ol
CID 66105524
1-quinolin-4-ylethanamine;dihydrochloride
CID 69169049
2-quinolin-4-ylsulfanylacetohydrazide
CID 57355260
3,5-difluoro-4-quinolin-4-ylsulfanylaniline
CID 61371227
CID 160608048
CID 160608048
argon;4-methylquinoline
CID 175059803
ethane;4-methylquinoline
CID 90853056
4-[2-(2H-tetrazol-5-yl)ethylsulfanyl]quinoline
CID 166337133
4-chloroquinoline;ethane
CID 91461667
iodomethane;4-methylquinoline
CID 161278358
4-pyrimidin-2-ylquinoline
CID 123157198

Frequently Asked Questions

What is the IUPAC name of 4-(disulfanyl)quinoline?
The IUPAC name of 4-(disulfanyl)quinoline (CID 123289875) is 4-(disulfanyl)quinoline.
What is the SMILES notation for 4-(disulfanyl)quinoline?
The canonical SMILES for 4-(disulfanyl)quinoline is SSc1ccnc2ccccc12.
What is the InChIKey of 4-(disulfanyl)quinoline?
The InChIKey is LDYQIGZEBRRWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NS2/c11-12-9-5-6-10-8-4-2-1-3-7(8)9/h1-6,11H.
What are the key properties of 4-(disulfanyl)quinoline?
4-(disulfanyl)quinoline has a molecular weight of 193.30 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(disulfanyl)quinoline is sourced from PubChem (CID 123289875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).