4-fluoro-6-methyl-2-methylsulfanyl-1-benzothiophene

C10H9FS2 — CID 130821281

IUPAC4-fluoro-6-methyl-2-methylsulfanyl-1-benzothiophene
SMILESCSc1cc2c(F)cc(C)cc2s1
InChIInChI=1S/C10H9FS2/c1-6-3-8(11)7-5-10(12-2)13-9(7)4-6/h3-5H,1-2H3
InChIKeyABAPZHLQKDIQPM-UHFFFAOYSA-N
MW212.31 g/mol
LogP4.07
Rot. Bonds1

About 4-fluoro-6-methyl-2-methylsulfanyl-1-benzothiophene

4-fluoro-6-methyl-2-methylsulfanyl-1-benzothiophene (PubChem CID 130821281) has the molecular formula C10H9FS2 and a molecular weight of 212.31 g/mol. Its IUPAC name is 4-fluoro-6-methyl-2-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name4-fluoro-6-methyl-2-methylsulfanyl-1-benzothiophene
PubChem CID130821281
Molecular FormulaC10H9FS2
Molecular Weight212.31 g/mol
Exact Mass212.01
IUPAC Name4-fluoro-6-methyl-2-methylsulfanyl-1-benzothiophene
SMILESCSc1cc2c(F)cc(C)cc2s1
InChIInChI=1S/C10H9FS2/c1-6-3-8(11)7-5-10(12-2)13-9(7)4-6/h3-5H,1-2H3
InChIKeyABAPZHLQKDIQPM-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-6-methyl-2-methylsulfanyl-1-benzothiophene 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

5-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene
CID 130821327
4-fluoro-6-methyl-2-nitro-1-benzothiophene
CID 130898234
6-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene
CID 131001321
2-iodo-6-methyl-4-methylsulfanyl-1-benzothiophene
CID 131002405
6-(hydroxymethyl)-2-methylsulfanyl-1-benzothiophen-4-ol
CID 131000518
4-bromo-7-fluoro-2-methylsulfanyl-1-benzothiophene
CID 131091429
4-bromo-5-chloro-2-methylsulfanyl-1-benzothiophene
CID 131145934
5-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene
CID 131218628
2,3-difluoro-6-methyl-1-benzothiophene
CID 129075425
CID 144806033
CID 144806033
4-fluoro-6-methylsulfanyl-1-benzothiophene-2-carbonitrile
CID 130971782
5-(chloromethyl)-2-methylsulfanyl-1-benzothiophene-4-thiol
CID 131146672

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methyl-2-methylsulfanyl-1-benzothiophene?
The IUPAC name of 4-fluoro-6-methyl-2-methylsulfanyl-1-benzothiophene (CID 130821281) is 4-fluoro-6-methyl-2-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 4-fluoro-6-methyl-2-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 4-fluoro-6-methyl-2-methylsulfanyl-1-benzothiophene is CSc1cc2c(F)cc(C)cc2s1.
What is the InChIKey of 4-fluoro-6-methyl-2-methylsulfanyl-1-benzothiophene?
The InChIKey is ABAPZHLQKDIQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FS2/c1-6-3-8(11)7-5-10(12-2)13-9(7)4-6/h3-5H,1-2H3.
What are the key properties of 4-fluoro-6-methyl-2-methylsulfanyl-1-benzothiophene?
4-fluoro-6-methyl-2-methylsulfanyl-1-benzothiophene has a molecular weight of 212.31 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methyl-2-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 130821281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).