(4-oxo-2,3-dihydrochromen-8-yl) thiohypofluorite

C9H7FO2S — CID 57056901

IUPAC(4-oxo-2,3-dihydrochromen-8-yl) thiohypofluorite
SMILESO=C1CCOc2c(SF)cccc21
InChIInChI=1S/C9H7FO2S/c10-13-8-3-1-2-6-7(11)4-5-12-9(6)8/h1-3H,4-5H2
InChIKeyCWTLECBYKIMKPB-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.63
Rot. Bonds1

About (4-oxo-2,3-dihydrochromen-8-yl) thiohypofluorite

(4-oxo-2,3-dihydrochromen-8-yl) thiohypofluorite (PubChem CID 57056901) has the molecular formula C9H7FO2S and a molecular weight of 198.22 g/mol. Its IUPAC name is (4-oxo-2,3-dihydrochromen-8-yl) thiohypofluorite.

Molecular Properties

Compound Name(4-oxo-2,3-dihydrochromen-8-yl) thiohypofluorite
PubChem CID57056901
Molecular FormulaC9H7FO2S
Molecular Weight198.22 g/mol
Exact Mass198.02
IUPAC Name(4-oxo-2,3-dihydrochromen-8-yl) thiohypofluorite
SMILESO=C1CCOc2c(SF)cccc21
InChIInChI=1S/C9H7FO2S/c10-13-8-3-1-2-6-7(11)4-5-12-9(6)8/h1-3H,4-5H2
InChIKeyCWTLECBYKIMKPB-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-oxo-2,3-dihydrochromen-8-yl) thiohypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Chromanone
CID 68110
(3E)-2,3-Dihydro-3-(phenylmethylene)-4H-1-benzopyran-4-one
CID 6364799
3-methyl-3,4-dihydro-2H-1-benzopyran-4-one
CID 11073737
(3E)-3-[(E)-3-phenylprop-2-enylidene]chromen-4-one
CID 54756779
6-fluoro-2,3-dihydro-4H-1-benzopyran-4-one
CID 2733262
8-fluoro-3,4-dihydro-2H-1-benzopyran-4-one
CID 13953817
2-Methylchroman-4-one
CID 380147
7-fluoro-3,4-dihydro-2H-1-benzopyran-4-one
CID 14653132
6,8-difluoro-3,4-dihydro-2H-1-benzopyran-4-one
CID 2741251
5,8-difluoro-3,4-dihydro-2H-1-benzopyran-4-one
CID 63268732
3-(phenylmethylidene)-3,4-dihydro-2H-1-benzopyran-4-one
CID 5912178
2-Vinylchroman-4-one
CID 11378785

Frequently Asked Questions

What is the IUPAC name of (4-oxo-2,3-dihydrochromen-8-yl) thiohypofluorite?
The IUPAC name of (4-oxo-2,3-dihydrochromen-8-yl) thiohypofluorite (CID 57056901) is (4-oxo-2,3-dihydrochromen-8-yl) thiohypofluorite.
What is the SMILES notation for (4-oxo-2,3-dihydrochromen-8-yl) thiohypofluorite?
The canonical SMILES for (4-oxo-2,3-dihydrochromen-8-yl) thiohypofluorite is O=C1CCOc2c(SF)cccc21.
What is the InChIKey of (4-oxo-2,3-dihydrochromen-8-yl) thiohypofluorite?
The InChIKey is CWTLECBYKIMKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO2S/c10-13-8-3-1-2-6-7(11)4-5-12-9(6)8/h1-3H,4-5H2.
What are the key properties of (4-oxo-2,3-dihydrochromen-8-yl) thiohypofluorite?
(4-oxo-2,3-dihydrochromen-8-yl) thiohypofluorite has a molecular weight of 198.22 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-2,3-dihydrochromen-8-yl) thiohypofluorite is sourced from PubChem (CID 57056901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).