(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl) hydrogen carbonate

C10H9FO3S — CID 67795191

IUPAC(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl) hydrogen carbonate
SMILESO=C(O)OC1CSc2c(F)cccc2C1
InChIInChI=1S/C10H9FO3S/c11-8-3-1-2-6-4-7(14-10(12)13)5-15-9(6)8/h1-3,7H,4-5H2,(H,12,13)
InChIKeySPHUVAOKTFNWQJ-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.54
Rot. Bonds1

About (8-fluoro-3,4-dihydro-2H-thiochromen-3-yl) hydrogen carbonate

(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl) hydrogen carbonate (PubChem CID 67795191) has the molecular formula C10H9FO3S and a molecular weight of 228.24 g/mol. Its IUPAC name is (8-fluoro-3,4-dihydro-2H-thiochromen-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl) hydrogen carbonate
PubChem CID67795191
Molecular FormulaC10H9FO3S
Molecular Weight228.24 g/mol
Exact Mass228.03
IUPAC Name(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl) hydrogen carbonate
SMILESO=C(O)OC1CSc2c(F)cccc2C1
InChIInChI=1S/C10H9FO3S/c11-8-3-1-2-6-4-7(14-10(12)13)5-15-9(6)8/h1-3,7H,4-5H2,(H,12,13)
InChIKeySPHUVAOKTFNWQJ-UHFFFAOYSA-N
XLogP2.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8-fluoro-3,4-dihydro-2H-thiochromen-3-yl) hydrogen carbonate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8-fluoro-3,4-dihydro-2H-thiochromen-3-yl) hydrogen carbonate?
The IUPAC name of (8-fluoro-3,4-dihydro-2H-thiochromen-3-yl) hydrogen carbonate (CID 67795191) is (8-fluoro-3,4-dihydro-2H-thiochromen-3-yl) hydrogen carbonate.
What is the SMILES notation for (8-fluoro-3,4-dihydro-2H-thiochromen-3-yl) hydrogen carbonate?
The canonical SMILES for (8-fluoro-3,4-dihydro-2H-thiochromen-3-yl) hydrogen carbonate is O=C(O)OC1CSc2c(F)cccc2C1.
What is the InChIKey of (8-fluoro-3,4-dihydro-2H-thiochromen-3-yl) hydrogen carbonate?
The InChIKey is SPHUVAOKTFNWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3S/c11-8-3-1-2-6-4-7(14-10(12)13)5-15-9(6)8/h1-3,7H,4-5H2,(H,12,13).
What are the key properties of (8-fluoro-3,4-dihydro-2H-thiochromen-3-yl) hydrogen carbonate?
(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl) hydrogen carbonate has a molecular weight of 228.24 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-3,4-dihydro-2H-thiochromen-3-yl) hydrogen carbonate is sourced from PubChem (CID 67795191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).