8-phenyl-2-sulfanyloxyquinoline

C15H11NOS — CID 175194288

IUPAC8-phenyl-2-sulfanyloxyquinoline
SMILESSOc1ccc2cccc(-c3ccccc3)c2n1
InChIInChI=1S/C15H11NOS/c18-17-14-10-9-12-7-4-8-13(15(12)16-14)11-5-2-1-3-6-11/h1-10,18H
InChIKeyMJNFTLNEHPFSBJ-UHFFFAOYSA-N
MW253.33 g/mol
LogP4.13
Rot. Bonds2

About 8-phenyl-2-sulfanyloxyquinoline

8-phenyl-2-sulfanyloxyquinoline (PubChem CID 175194288) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is 8-phenyl-2-sulfanyloxyquinoline.

Molecular Properties

Compound Name8-phenyl-2-sulfanyloxyquinoline
PubChem CID175194288
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name8-phenyl-2-sulfanyloxyquinoline
SMILESSOc1ccc2cccc(-c3ccccc3)c2n1
InChIInChI=1S/C15H11NOS/c18-17-14-10-9-12-7-4-8-13(15(12)16-14)11-5-2-1-3-6-11/h1-10,18H
InChIKeyMJNFTLNEHPFSBJ-UHFFFAOYSA-N
XLogP4.13
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

mercury;8-phenylquinoline;hydrate
CID 174770535
8-phenyl-2-(sulfinoamino)quinoline
CID 174322817
8-phenyl-2-(sulfinatoamino)quinoline;zinc
CID 174322816
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]acridine
CID 134169245
8-(12,16-diphenyl-18-quinolin-8-yl-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)quinoline
CID 144854633
2-phenyl-9-[4-[2-[2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010512
2,3-difluoro-5-phenylquinoxaline
CID 69330086
2-phenylquinolin-8-amine
CID 19955861
ethane;1-methyl-3-phenyl-2-sulfanyloxybenzene
CID 144756477
3-ethyl-8-phenylquinolin-2-amine
CID 55175955
2-methylquinolin-8-ol;2-phenylphenol;propane
CID 143547724
8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402277

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-2-sulfanyloxyquinoline?
The IUPAC name of 8-phenyl-2-sulfanyloxyquinoline (CID 175194288) is 8-phenyl-2-sulfanyloxyquinoline.
What is the SMILES notation for 8-phenyl-2-sulfanyloxyquinoline?
The canonical SMILES for 8-phenyl-2-sulfanyloxyquinoline is SOc1ccc2cccc(-c3ccccc3)c2n1.
What is the InChIKey of 8-phenyl-2-sulfanyloxyquinoline?
The InChIKey is MJNFTLNEHPFSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS/c18-17-14-10-9-12-7-4-8-13(15(12)16-14)11-5-2-1-3-6-11/h1-10,18H.
What are the key properties of 8-phenyl-2-sulfanyloxyquinoline?
8-phenyl-2-sulfanyloxyquinoline has a molecular weight of 253.33 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-2-sulfanyloxyquinoline is sourced from PubChem (CID 175194288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).