1-(1-fluoroethenyl)-4-methylsulfanylbenzene

C9H9FS — CID 102098131

IUPAC1-(1-fluoroethenyl)-4-methylsulfanylbenzene
SMILESC=C(F)c1ccc(SC)cc1
InChIInChI=1S/C9H9FS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1H2,2H3
InChIKeyALQHNMSAWFZRAC-UHFFFAOYSA-N
MW168.24 g/mol
LogP3.35
Rot. Bonds2

About 1-(1-fluoroethenyl)-4-methylsulfanylbenzene

1-(1-fluoroethenyl)-4-methylsulfanylbenzene (PubChem CID 102098131) has the molecular formula C9H9FS and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(1-fluoroethenyl)-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1-(1-fluoroethenyl)-4-methylsulfanylbenzene
PubChem CID102098131
Molecular FormulaC9H9FS
Molecular Weight168.24 g/mol
Exact Mass168.04
IUPAC Name1-(1-fluoroethenyl)-4-methylsulfanylbenzene
SMILESC=C(F)c1ccc(SC)cc1
InChIInChI=1S/C9H9FS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1H2,2H3
InChIKeyALQHNMSAWFZRAC-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethenyl)-4-methylsulfanylbenzene?
The IUPAC name of 1-(1-fluoroethenyl)-4-methylsulfanylbenzene (CID 102098131) is 1-(1-fluoroethenyl)-4-methylsulfanylbenzene.
What is the SMILES notation for 1-(1-fluoroethenyl)-4-methylsulfanylbenzene?
The canonical SMILES for 1-(1-fluoroethenyl)-4-methylsulfanylbenzene is C=C(F)c1ccc(SC)cc1.
What is the InChIKey of 1-(1-fluoroethenyl)-4-methylsulfanylbenzene?
The InChIKey is ALQHNMSAWFZRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1H2,2H3.
What are the key properties of 1-(1-fluoroethenyl)-4-methylsulfanylbenzene?
1-(1-fluoroethenyl)-4-methylsulfanylbenzene has a molecular weight of 168.24 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethenyl)-4-methylsulfanylbenzene is sourced from PubChem (CID 102098131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).