S-[4-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]thiohydroxylamine

C15H15FN2S — CID 170390923

IUPACS-[4-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]thiohydroxylamine
SMILESNSc1ccc(C2CCc3cc(F)ccc3N2)cc1
InChIInChI=1S/C15H15FN2S/c16-12-4-8-15-11(9-12)3-7-14(18-15)10-1-5-13(19-17)6-2-10/h1-2,4-6,8-9,14,18H,3,7,17H2
InChIKeyBVXYLLIMSZWNQR-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.89
Rot. Bonds2

About S-[4-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]thiohydroxylamine

S-[4-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]thiohydroxylamine (PubChem CID 170390923) has the molecular formula C15H15FN2S and a molecular weight of 274.36 g/mol. Its IUPAC name is S-[4-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[4-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]thiohydroxylamine
PubChem CID170390923
Molecular FormulaC15H15FN2S
Molecular Weight274.36 g/mol
Exact Mass274.09
IUPAC NameS-[4-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]thiohydroxylamine
SMILESNSc1ccc(C2CCc3cc(F)ccc3N2)cc1
InChIInChI=1S/C15H15FN2S/c16-12-4-8-15-11(9-12)3-7-14(18-15)10-1-5-13(19-17)6-2-10/h1-2,4-6,8-9,14,18H,3,7,17H2
InChIKeyBVXYLLIMSZWNQR-UHFFFAOYSA-N
XLogP3.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-[4-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]thiohydroxylamine?
The IUPAC name of S-[4-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]thiohydroxylamine (CID 170390923) is S-[4-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]thiohydroxylamine.
What is the SMILES notation for S-[4-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]thiohydroxylamine?
The canonical SMILES for S-[4-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]thiohydroxylamine is NSc1ccc(C2CCc3cc(F)ccc3N2)cc1.
What is the InChIKey of S-[4-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]thiohydroxylamine?
The InChIKey is BVXYLLIMSZWNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2S/c16-12-4-8-15-11(9-12)3-7-14(18-15)10-1-5-13(19-17)6-2-10/h1-2,4-6,8-9,14,18H,3,7,17H2.
What are the key properties of S-[4-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]thiohydroxylamine?
S-[4-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]thiohydroxylamine has a molecular weight of 274.36 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[4-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]thiohydroxylamine is sourced from PubChem (CID 170390923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).