6-fluoro-8-methyl-4,5-dihydrobenzo[g][1]benzothiole

C13H11FS — CID 71078098

IUPAC6-fluoro-8-methyl-4,5-dihydrobenzo[g][1]benzothiole
SMILESCc1cc(F)c2c(c1)-c1sccc1CC2
InChIInChI=1S/C13H11FS/c1-8-6-11-10(12(14)7-8)3-2-9-4-5-15-13(9)11/h4-7H,2-3H2,1H3
InChIKeyGRLSXJDEXSJRMZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.96
Rot. Bonds

About 6-fluoro-8-methyl-4,5-dihydrobenzo[g][1]benzothiole

6-fluoro-8-methyl-4,5-dihydrobenzo[g][1]benzothiole (PubChem CID 71078098) has the molecular formula C13H11FS and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-fluoro-8-methyl-4,5-dihydrobenzo[g][1]benzothiole.

Molecular Properties

Compound Name6-fluoro-8-methyl-4,5-dihydrobenzo[g][1]benzothiole
PubChem CID71078098
Molecular FormulaC13H11FS
Molecular Weight218.30 g/mol
Exact Mass218.06
IUPAC Name6-fluoro-8-methyl-4,5-dihydrobenzo[g][1]benzothiole
SMILESCc1cc(F)c2c(c1)-c1sccc1CC2
InChIInChI=1S/C13H11FS/c1-8-6-11-10(12(14)7-8)3-2-9-4-5-15-13(9)11/h4-7H,2-3H2,1H3
InChIKeyGRLSXJDEXSJRMZ-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methyl-4,5-dihydrobenzo[g][1]benzothiole?
The IUPAC name of 6-fluoro-8-methyl-4,5-dihydrobenzo[g][1]benzothiole (CID 71078098) is 6-fluoro-8-methyl-4,5-dihydrobenzo[g][1]benzothiole.
What is the SMILES notation for 6-fluoro-8-methyl-4,5-dihydrobenzo[g][1]benzothiole?
The canonical SMILES for 6-fluoro-8-methyl-4,5-dihydrobenzo[g][1]benzothiole is Cc1cc(F)c2c(c1)-c1sccc1CC2.
What is the InChIKey of 6-fluoro-8-methyl-4,5-dihydrobenzo[g][1]benzothiole?
The InChIKey is GRLSXJDEXSJRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FS/c1-8-6-11-10(12(14)7-8)3-2-9-4-5-15-13(9)11/h4-7H,2-3H2,1H3.
What are the key properties of 6-fluoro-8-methyl-4,5-dihydrobenzo[g][1]benzothiole?
6-fluoro-8-methyl-4,5-dihydrobenzo[g][1]benzothiole has a molecular weight of 218.30 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methyl-4,5-dihydrobenzo[g][1]benzothiole is sourced from PubChem (CID 71078098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).