S-quinolin-8-yl 4-fluorobenzenecarbothioate

C16H10FNOS — CID 2332535

IUPACS-quinolin-8-yl 4-fluorobenzenecarbothioate
SMILESO=C(Sc1cccc2cccnc12)c1ccc(F)cc1
InChIInChI=1S/C16H10FNOS/c17-13-8-6-12(7-9-13)16(19)20-14-5-1-3-11-4-2-10-18-15(11)14/h1-10H
InChIKeyOUHDNMKXFLABLF-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.31
Rot. Bonds2

About S-quinolin-8-yl 4-fluorobenzenecarbothioate

S-quinolin-8-yl 4-fluorobenzenecarbothioate (PubChem CID 2332535) has the molecular formula C16H10FNOS and a molecular weight of 283.33 g/mol. Its IUPAC name is S-quinolin-8-yl 4-fluorobenzenecarbothioate.

Molecular Properties

Compound NameS-quinolin-8-yl 4-fluorobenzenecarbothioate
PubChem CID2332535
Molecular FormulaC16H10FNOS
Molecular Weight283.33 g/mol
Exact Mass283.05
IUPAC NameS-quinolin-8-yl 4-fluorobenzenecarbothioate
SMILESO=C(Sc1cccc2cccnc12)c1ccc(F)cc1
InChIInChI=1S/C16H10FNOS/c17-13-8-6-12(7-9-13)16(19)20-14-5-1-3-11-4-2-10-18-15(11)14/h1-10H
InChIKeyOUHDNMKXFLABLF-UHFFFAOYSA-N
XLogP4.31
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-quinolin-8-yl 4-fluorobenzenecarbothioate?
The IUPAC name of S-quinolin-8-yl 4-fluorobenzenecarbothioate (CID 2332535) is S-quinolin-8-yl 4-fluorobenzenecarbothioate.
What is the SMILES notation for S-quinolin-8-yl 4-fluorobenzenecarbothioate?
The canonical SMILES for S-quinolin-8-yl 4-fluorobenzenecarbothioate is O=C(Sc1cccc2cccnc12)c1ccc(F)cc1.
What is the InChIKey of S-quinolin-8-yl 4-fluorobenzenecarbothioate?
The InChIKey is OUHDNMKXFLABLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNOS/c17-13-8-6-12(7-9-13)16(19)20-14-5-1-3-11-4-2-10-18-15(11)14/h1-10H.
What are the key properties of S-quinolin-8-yl 4-fluorobenzenecarbothioate?
S-quinolin-8-yl 4-fluorobenzenecarbothioate has a molecular weight of 283.33 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-quinolin-8-yl 4-fluorobenzenecarbothioate is sourced from PubChem (CID 2332535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).