3-phenylsulfanylquinoline

C15H11NS — CID 4585491

IUPAC3-phenylsulfanylquinoline
SMILESc1ccc(Sc2cnc3ccccc3c2)cc1
InChIInChI=1S/C15H11NS/c1-2-7-13(8-3-1)17-14-10-12-6-4-5-9-15(12)16-11-14/h1-11H
InChIKeyTWIWOYAAGMEHAN-UHFFFAOYSA-N
MW237.33 g/mol
LogP4.39
Rot. Bonds2

About 3-phenylsulfanylquinoline

3-phenylsulfanylquinoline (PubChem CID 4585491) has the molecular formula C15H11NS and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-phenylsulfanylquinoline.

Molecular Properties

Compound Name3-phenylsulfanylquinoline
PubChem CID4585491
Molecular FormulaC15H11NS
Molecular Weight237.33 g/mol
Exact Mass237.06
IUPAC Name3-phenylsulfanylquinoline
SMILESc1ccc(Sc2cnc3ccccc3c2)cc1
InChIInChI=1S/C15H11NS/c1-2-7-13(8-3-1)17-14-10-12-6-4-5-9-15(12)16-11-14/h1-11H
InChIKeyTWIWOYAAGMEHAN-UHFFFAOYSA-N
XLogP4.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanylquinoline?
The IUPAC name of 3-phenylsulfanylquinoline (CID 4585491) is 3-phenylsulfanylquinoline.
What is the SMILES notation for 3-phenylsulfanylquinoline?
The canonical SMILES for 3-phenylsulfanylquinoline is c1ccc(Sc2cnc3ccccc3c2)cc1.
What is the InChIKey of 3-phenylsulfanylquinoline?
The InChIKey is TWIWOYAAGMEHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NS/c1-2-7-13(8-3-1)17-14-10-12-6-4-5-9-15(12)16-11-14/h1-11H.
What are the key properties of 3-phenylsulfanylquinoline?
3-phenylsulfanylquinoline has a molecular weight of 237.33 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanylquinoline is sourced from PubChem (CID 4585491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).