5-fluoro-3-methyl-1,3-dihydroindole-2-thione

C9H8FNS — CID 21273363

IUPAC5-fluoro-3-methyl-1,3-dihydroindole-2-thione
SMILESCC1C(=S)Nc2ccc(F)cc21
InChIInChI=1S/C9H8FNS/c1-5-7-4-6(10)2-3-8(7)11-9(5)12/h2-5H,1H3,(H,11,12)
InChIKeyFIWADZAJMKCAHJ-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.68
Rot. Bonds

About 5-fluoro-3-methyl-1,3-dihydroindole-2-thione

5-fluoro-3-methyl-1,3-dihydroindole-2-thione (PubChem CID 21273363) has the molecular formula C9H8FNS and a molecular weight of 181.23 g/mol. Its IUPAC name is 5-fluoro-3-methyl-1,3-dihydroindole-2-thione.

Molecular Properties

Compound Name5-fluoro-3-methyl-1,3-dihydroindole-2-thione
PubChem CID21273363
Molecular FormulaC9H8FNS
Molecular Weight181.23 g/mol
Exact Mass181.04
IUPAC Name5-fluoro-3-methyl-1,3-dihydroindole-2-thione
SMILESCC1C(=S)Nc2ccc(F)cc21
InChIInChI=1S/C9H8FNS/c1-5-7-4-6(10)2-3-8(7)11-9(5)12/h2-5H,1H3,(H,11,12)
InChIKeyFIWADZAJMKCAHJ-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-1,3-dihydroindole-2-thione?
The IUPAC name of 5-fluoro-3-methyl-1,3-dihydroindole-2-thione (CID 21273363) is 5-fluoro-3-methyl-1,3-dihydroindole-2-thione.
What is the SMILES notation for 5-fluoro-3-methyl-1,3-dihydroindole-2-thione?
The canonical SMILES for 5-fluoro-3-methyl-1,3-dihydroindole-2-thione is CC1C(=S)Nc2ccc(F)cc21.
What is the InChIKey of 5-fluoro-3-methyl-1,3-dihydroindole-2-thione?
The InChIKey is FIWADZAJMKCAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNS/c1-5-7-4-6(10)2-3-8(7)11-9(5)12/h2-5H,1H3,(H,11,12).
What are the key properties of 5-fluoro-3-methyl-1,3-dihydroindole-2-thione?
5-fluoro-3-methyl-1,3-dihydroindole-2-thione has a molecular weight of 181.23 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-1,3-dihydroindole-2-thione is sourced from PubChem (CID 21273363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).