4-fluoro-2-phenyl-3H-1,2-benzothiazole 1-oxide

C13H10FNOS — CID 67567175

IUPAC4-fluoro-2-phenyl-3H-1,2-benzothiazole 1-oxide
SMILESO=S1c2cccc(F)c2CN1c1ccccc1
InChIInChI=1S/C13H10FNOS/c14-12-7-4-8-13-11(12)9-15(17(13)16)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyOSKNRDNKYRPAGV-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.87
Rot. Bonds1

About 4-fluoro-2-phenyl-3H-1,2-benzothiazole 1-oxide

4-fluoro-2-phenyl-3H-1,2-benzothiazole 1-oxide (PubChem CID 67567175) has the molecular formula C13H10FNOS and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-fluoro-2-phenyl-3H-1,2-benzothiazole 1-oxide.

Molecular Properties

Compound Name4-fluoro-2-phenyl-3H-1,2-benzothiazole 1-oxide
PubChem CID67567175
Molecular FormulaC13H10FNOS
Molecular Weight247.29 g/mol
Exact Mass247.05
IUPAC Name4-fluoro-2-phenyl-3H-1,2-benzothiazole 1-oxide
SMILESO=S1c2cccc(F)c2CN1c1ccccc1
InChIInChI=1S/C13H10FNOS/c14-12-7-4-8-13-11(12)9-15(17(13)16)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyOSKNRDNKYRPAGV-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-phenyl-3H-1,2-benzothiazole 1-oxide?
The IUPAC name of 4-fluoro-2-phenyl-3H-1,2-benzothiazole 1-oxide (CID 67567175) is 4-fluoro-2-phenyl-3H-1,2-benzothiazole 1-oxide.
What is the SMILES notation for 4-fluoro-2-phenyl-3H-1,2-benzothiazole 1-oxide?
The canonical SMILES for 4-fluoro-2-phenyl-3H-1,2-benzothiazole 1-oxide is O=S1c2cccc(F)c2CN1c1ccccc1.
What is the InChIKey of 4-fluoro-2-phenyl-3H-1,2-benzothiazole 1-oxide?
The InChIKey is OSKNRDNKYRPAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNOS/c14-12-7-4-8-13-11(12)9-15(17(13)16)10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 4-fluoro-2-phenyl-3H-1,2-benzothiazole 1-oxide?
4-fluoro-2-phenyl-3H-1,2-benzothiazole 1-oxide has a molecular weight of 247.29 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-phenyl-3H-1,2-benzothiazole 1-oxide is sourced from PubChem (CID 67567175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).