2-(ethylsulfanylmethyl)-4-fluoro-1-benzothiophene 1,1-dioxide

C11H11FO2S2 — CID 117172650

IUPAC2-(ethylsulfanylmethyl)-4-fluoro-1-benzothiophene 1,1-dioxide
SMILESCCSCC1=Cc2c(F)cccc2S1(=O)=O
InChIInChI=1S/C11H11FO2S2/c1-2-15-7-8-6-9-10(12)4-3-5-11(9)16(8,13)14/h3-6H,2,7H2,1H3
InChIKeyIMILOSMPGGSJKZ-UHFFFAOYSA-N
MW258.34 g/mol
LogP2.71
Rot. Bonds3

About 2-(ethylsulfanylmethyl)-4-fluoro-1-benzothiophene 1,1-dioxide

2-(ethylsulfanylmethyl)-4-fluoro-1-benzothiophene 1,1-dioxide (PubChem CID 117172650) has the molecular formula C11H11FO2S2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-4-fluoro-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-4-fluoro-1-benzothiophene 1,1-dioxide
PubChem CID117172650
Molecular FormulaC11H11FO2S2
Molecular Weight258.34 g/mol
Exact Mass258.02
IUPAC Name2-(ethylsulfanylmethyl)-4-fluoro-1-benzothiophene 1,1-dioxide
SMILESCCSCC1=Cc2c(F)cccc2S1(=O)=O
InChIInChI=1S/C11H11FO2S2/c1-2-15-7-8-6-9-10(12)4-3-5-11(9)16(8,13)14/h3-6H,2,7H2,1H3
InChIKeyIMILOSMPGGSJKZ-UHFFFAOYSA-N
XLogP2.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(ethylsulfanylmethyl)-4-fluoro-1-benzothiophene 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 2-(ethylsulfanylmethyl)-4-fluoro-1-benzothiophene 1,1-dioxide?
The IUPAC name of 2-(ethylsulfanylmethyl)-4-fluoro-1-benzothiophene 1,1-dioxide (CID 117172650) is 2-(ethylsulfanylmethyl)-4-fluoro-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-4-fluoro-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 2-(ethylsulfanylmethyl)-4-fluoro-1-benzothiophene 1,1-dioxide is CCSCC1=Cc2c(F)cccc2S1(=O)=O.
What is the InChIKey of 2-(ethylsulfanylmethyl)-4-fluoro-1-benzothiophene 1,1-dioxide?
The InChIKey is IMILOSMPGGSJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2S2/c1-2-15-7-8-6-9-10(12)4-3-5-11(9)16(8,13)14/h3-6H,2,7H2,1H3.
What are the key properties of 2-(ethylsulfanylmethyl)-4-fluoro-1-benzothiophene 1,1-dioxide?
2-(ethylsulfanylmethyl)-4-fluoro-1-benzothiophene 1,1-dioxide has a molecular weight of 258.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-4-fluoro-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 117172650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).