4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide

C12H13FO2S — CID 53307620

IUPAC4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide
SMILESO=S1(=O)CCC(C2CC2)c2ccc(F)cc21
InChIInChI=1S/C12H13FO2S/c13-9-3-4-11-10(8-1-2-8)5-6-16(14,15)12(11)7-9/h3-4,7-8,10H,1-2,5-6H2
InChIKeyLCGAHPABZOKLPB-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.50
Rot. Bonds1

About 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide

4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide (PubChem CID 53307620) has the molecular formula C12H13FO2S and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide.

Molecular Properties

Compound Name4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide
PubChem CID53307620
Molecular FormulaC12H13FO2S
Molecular Weight240.30 g/mol
Exact Mass240.06
IUPAC Name4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide
SMILESO=S1(=O)CCC(C2CC2)c2ccc(F)cc21
InChIInChI=1S/C12H13FO2S/c13-9-3-4-11-10(8-1-2-8)5-6-16(14,15)12(11)7-9/h3-4,7-8,10H,1-2,5-6H2
InChIKeyLCGAHPABZOKLPB-UHFFFAOYSA-N
XLogP2.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide 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 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The IUPAC name of 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide (CID 53307620) is 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide.
What is the SMILES notation for 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The canonical SMILES for 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide is O=S1(=O)CCC(C2CC2)c2ccc(F)cc21.
What is the InChIKey of 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The InChIKey is LCGAHPABZOKLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2S/c13-9-3-4-11-10(8-1-2-8)5-6-16(14,15)12(11)7-9/h3-4,7-8,10H,1-2,5-6H2.
What are the key properties of 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide?
4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide has a molecular weight of 240.30 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide is sourced from PubChem (CID 53307620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).