1-fluoro-3-(methylsulfanylmethyl)benzene

C8H9FS — CID 12779310

IUPAC1-fluoro-3-(methylsulfanylmethyl)benzene
SMILESCSCc1cccc(F)c1
InChIInChI=1S/C8H9FS/c1-10-6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3
InChIKeyQEBJQIFOGSVZNM-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.69
Rot. Bonds2

About 1-fluoro-3-(methylsulfanylmethyl)benzene

1-fluoro-3-(methylsulfanylmethyl)benzene (PubChem CID 12779310) has the molecular formula C8H9FS and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-fluoro-3-(methylsulfanylmethyl)benzene.

Molecular Properties

Compound Name1-fluoro-3-(methylsulfanylmethyl)benzene
PubChem CID12779310
Molecular FormulaC8H9FS
Molecular Weight156.22 g/mol
Exact Mass156.04
IUPAC Name1-fluoro-3-(methylsulfanylmethyl)benzene
SMILESCSCc1cccc(F)c1
InChIInChI=1S/C8H9FS/c1-10-6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3
InChIKeyQEBJQIFOGSVZNM-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(methylsulfanylmethyl)benzene?
The IUPAC name of 1-fluoro-3-(methylsulfanylmethyl)benzene (CID 12779310) is 1-fluoro-3-(methylsulfanylmethyl)benzene.
What is the SMILES notation for 1-fluoro-3-(methylsulfanylmethyl)benzene?
The canonical SMILES for 1-fluoro-3-(methylsulfanylmethyl)benzene is CSCc1cccc(F)c1.
What is the InChIKey of 1-fluoro-3-(methylsulfanylmethyl)benzene?
The InChIKey is QEBJQIFOGSVZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FS/c1-10-6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3.
What are the key properties of 1-fluoro-3-(methylsulfanylmethyl)benzene?
1-fluoro-3-(methylsulfanylmethyl)benzene has a molecular weight of 156.22 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(methylsulfanylmethyl)benzene is sourced from PubChem (CID 12779310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).