1-fluoro-2-methyl-4-prop-2-enylsulfanylbenzene

C10H11FS — CID 91655286

IUPAC1-fluoro-2-methyl-4-prop-2-enylsulfanylbenzene
SMILESC=CCSc1ccc(F)c(C)c1
InChIInChI=1S/C10H11FS/c1-3-6-12-9-4-5-10(11)8(2)7-9/h3-5,7H,1,6H2,2H3
InChIKeyPJNNWLAYDFXDLL-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.41
Rot. Bonds3

About 1-fluoro-2-methyl-4-prop-2-enylsulfanylbenzene

1-fluoro-2-methyl-4-prop-2-enylsulfanylbenzene (PubChem CID 91655286) has the molecular formula C10H11FS and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-fluoro-2-methyl-4-prop-2-enylsulfanylbenzene.

Molecular Properties

Compound Name1-fluoro-2-methyl-4-prop-2-enylsulfanylbenzene
PubChem CID91655286
Molecular FormulaC10H11FS
Molecular Weight182.26 g/mol
Exact Mass182.06
IUPAC Name1-fluoro-2-methyl-4-prop-2-enylsulfanylbenzene
SMILESC=CCSc1ccc(F)c(C)c1
InChIInChI=1S/C10H11FS/c1-3-6-12-9-4-5-10(11)8(2)7-9/h3-5,7H,1,6H2,2H3
InChIKeyPJNNWLAYDFXDLL-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-4-prop-2-enylsulfanylbenzene?
The IUPAC name of 1-fluoro-2-methyl-4-prop-2-enylsulfanylbenzene (CID 91655286) is 1-fluoro-2-methyl-4-prop-2-enylsulfanylbenzene.
What is the SMILES notation for 1-fluoro-2-methyl-4-prop-2-enylsulfanylbenzene?
The canonical SMILES for 1-fluoro-2-methyl-4-prop-2-enylsulfanylbenzene is C=CCSc1ccc(F)c(C)c1.
What is the InChIKey of 1-fluoro-2-methyl-4-prop-2-enylsulfanylbenzene?
The InChIKey is PJNNWLAYDFXDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FS/c1-3-6-12-9-4-5-10(11)8(2)7-9/h3-5,7H,1,6H2,2H3.
What are the key properties of 1-fluoro-2-methyl-4-prop-2-enylsulfanylbenzene?
1-fluoro-2-methyl-4-prop-2-enylsulfanylbenzene has a molecular weight of 182.26 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-4-prop-2-enylsulfanylbenzene is sourced from PubChem (CID 91655286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).