6-fluoro-2-methyl-3-methylsulfanyl-1-benzothiophene

C10H9FS2 — CID 130854586

IUPAC6-fluoro-2-methyl-3-methylsulfanyl-1-benzothiophene
SMILESCSc1c(C)sc2cc(F)ccc12
InChIInChI=1S/C10H9FS2/c1-6-10(12-2)8-4-3-7(11)5-9(8)13-6/h3-5H,1-2H3
InChIKeyXOVHFIUELWXGDA-UHFFFAOYSA-N
MW212.31 g/mol
LogP4.07
Rot. Bonds1

About 6-fluoro-2-methyl-3-methylsulfanyl-1-benzothiophene

6-fluoro-2-methyl-3-methylsulfanyl-1-benzothiophene (PubChem CID 130854586) has the molecular formula C10H9FS2 and a molecular weight of 212.31 g/mol. Its IUPAC name is 6-fluoro-2-methyl-3-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name6-fluoro-2-methyl-3-methylsulfanyl-1-benzothiophene
PubChem CID130854586
Molecular FormulaC10H9FS2
Molecular Weight212.31 g/mol
Exact Mass212.01
IUPAC Name6-fluoro-2-methyl-3-methylsulfanyl-1-benzothiophene
SMILESCSc1c(C)sc2cc(F)ccc12
InChIInChI=1S/C10H9FS2/c1-6-10(12-2)8-4-3-7(11)5-9(8)13-6/h3-5H,1-2H3
InChIKeyXOVHFIUELWXGDA-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 6-fluoro-2-methyl-3-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

2-methyl-3-methylsulfanyl-1-benzothiophene-5-thiol
CID 130913392
2-amino-2-(6-fluoro-2-methyl-1-benzothiophen-3-yl)acetic acid
CID 115073043
2,6-dichloro-3-methylsulfanyl-1-benzothiophene
CID 131223527
2-chloro-6-fluoro-3-methoxy-1-benzothiophene
CID 130839104
2-bromo-3-methylsulfanyl-1-benzothiophen-6-amine
CID 131080327
6-iodo-3-methylsulfanyl-1-benzothiophen-2-amine
CID 130988040
methyl 6-fluoro-3-hydroxy-1-benzothiophene-2-carboxylate
CID 131331156
2-ethoxy-3,6-difluoro-1-benzothiophene
CID 130870288
7-fluorodibenzothiophene-3-carbonitrile
CID 50993107
6-hydroxy-3-methylsulfanyl-1-benzothiophene-2-carbaldehyde
CID 131122804
2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)ethanamine
CID 83909343
3-chloro-2-(difluoromethyl)-6-fluoro-1-benzothiophene
CID 130805604

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-3-methylsulfanyl-1-benzothiophene?
The IUPAC name of 6-fluoro-2-methyl-3-methylsulfanyl-1-benzothiophene (CID 130854586) is 6-fluoro-2-methyl-3-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 6-fluoro-2-methyl-3-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 6-fluoro-2-methyl-3-methylsulfanyl-1-benzothiophene is CSc1c(C)sc2cc(F)ccc12.
What is the InChIKey of 6-fluoro-2-methyl-3-methylsulfanyl-1-benzothiophene?
The InChIKey is XOVHFIUELWXGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FS2/c1-6-10(12-2)8-4-3-7(11)5-9(8)13-6/h3-5H,1-2H3.
What are the key properties of 6-fluoro-2-methyl-3-methylsulfanyl-1-benzothiophene?
6-fluoro-2-methyl-3-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 6-fluoro-2-methyl-3-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 130854586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).