1-fluoro-4-[(E)-2-methylsulfanylethenyl]benzene

C9H9FS — CID 12021503

IUPAC1-fluoro-4-[(E)-2-methylsulfanylethenyl]benzene
SMILESCS/C=C/c1ccc(F)cc1
InChIInChI=1S/C9H9FS/c1-11-7-6-8-2-4-9(10)5-3-8/h2-7H,1H3/b7-6+
InChIKeyNHTVTMKQEXDCQL-VOTSOKGWSA-N
MW168.24 g/mol
LogP3.16
Rot. Bonds2

About 1-fluoro-4-[(E)-2-methylsulfanylethenyl]benzene

1-fluoro-4-[(E)-2-methylsulfanylethenyl]benzene (PubChem CID 12021503) has the molecular formula C9H9FS and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-fluoro-4-[(E)-2-methylsulfanylethenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(E)-2-methylsulfanylethenyl]benzene
PubChem CID12021503
Molecular FormulaC9H9FS
Molecular Weight168.24 g/mol
Exact Mass168.04
IUPAC Name1-fluoro-4-[(E)-2-methylsulfanylethenyl]benzene
SMILESCS/C=C/c1ccc(F)cc1
InChIInChI=1S/C9H9FS/c1-11-7-6-8-2-4-9(10)5-3-8/h2-7H,1H3/b7-6+
InChIKeyNHTVTMKQEXDCQL-VOTSOKGWSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 86218693
1-fluoro-4-[(E)-2-(trifluoromethylsulfanyl)ethenyl]benzene
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1-fluoro-4-[(Z)-2-methoxyethenyl]benzene
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2-[2-(4-fluorophenyl)ethenyl]-4,6-dimethyl-1,3,5-triazine
CID 71426490
1-methylsulfanyl-4-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 12652959
1-fluoro-4-[4-[(E)-2-fluoroethenyl]phenyl]benzene
CID 19780903
2-[2-(4-fluorophenyl)ethenyl]-6-[2-[6-[2-(4-fluorophenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene
CID 72534274
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CID 145203417
CID 145203417

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(E)-2-methylsulfanylethenyl]benzene?
The IUPAC name of 1-fluoro-4-[(E)-2-methylsulfanylethenyl]benzene (CID 12021503) is 1-fluoro-4-[(E)-2-methylsulfanylethenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(E)-2-methylsulfanylethenyl]benzene?
The canonical SMILES for 1-fluoro-4-[(E)-2-methylsulfanylethenyl]benzene is CS/C=C/c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(E)-2-methylsulfanylethenyl]benzene?
The InChIKey is NHTVTMKQEXDCQL-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H9FS/c1-11-7-6-8-2-4-9(10)5-3-8/h2-7H,1H3/b7-6+.
What are the key properties of 1-fluoro-4-[(E)-2-methylsulfanylethenyl]benzene?
1-fluoro-4-[(E)-2-methylsulfanylethenyl]benzene has a molecular weight of 168.24 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(E)-2-methylsulfanylethenyl]benzene is sourced from PubChem (CID 12021503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).