1-fluoro-2-methylsulfanylbenzene

C7H7FS — CID 2774762

IUPAC1-fluoro-2-methylsulfanylbenzene
SMILESCSc1ccccc1F
InChIInChI=1S/C7H7FS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKeyAYTSELVZWGHUEE-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.55
Rot. Bonds1

About 1-fluoro-2-methylsulfanylbenzene

1-fluoro-2-methylsulfanylbenzene (PubChem CID 2774762) has the molecular formula C7H7FS and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-fluoro-2-methylsulfanylbenzene.

Molecular Properties

Compound Name1-fluoro-2-methylsulfanylbenzene
PubChem CID2774762
Molecular FormulaC7H7FS
Molecular Weight142.20 g/mol
Exact Mass142.03
IUPAC Name1-fluoro-2-methylsulfanylbenzene
SMILESCSc1ccccc1F
InChIInChI=1S/C7H7FS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKeyAYTSELVZWGHUEE-UHFFFAOYSA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylsulfanylbenzene?
The IUPAC name of 1-fluoro-2-methylsulfanylbenzene (CID 2774762) is 1-fluoro-2-methylsulfanylbenzene.
What is the SMILES notation for 1-fluoro-2-methylsulfanylbenzene?
The canonical SMILES for 1-fluoro-2-methylsulfanylbenzene is CSc1ccccc1F.
What is the InChIKey of 1-fluoro-2-methylsulfanylbenzene?
The InChIKey is AYTSELVZWGHUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3.
What are the key properties of 1-fluoro-2-methylsulfanylbenzene?
1-fluoro-2-methylsulfanylbenzene has a molecular weight of 142.20 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylsulfanylbenzene is sourced from PubChem (CID 2774762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).