1-ethylsulfanyl-4-(3-fluorophenyl)benzene

C14H13FS — CID 91658089

IUPAC1-ethylsulfanyl-4-(3-fluorophenyl)benzene
SMILESCCSc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C14H13FS/c1-2-16-14-8-6-11(7-9-14)12-4-3-5-13(15)10-12/h3-10H,2H2,1H3
InChIKeyCBIVKNSVUPAEET-UHFFFAOYSA-N
MW232.32 g/mol
LogP4.60
Rot. Bonds3

About 1-ethylsulfanyl-4-(3-fluorophenyl)benzene

1-ethylsulfanyl-4-(3-fluorophenyl)benzene (PubChem CID 91658089) has the molecular formula C14H13FS and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-ethylsulfanyl-4-(3-fluorophenyl)benzene.

Molecular Properties

Compound Name1-ethylsulfanyl-4-(3-fluorophenyl)benzene
PubChem CID91658089
Molecular FormulaC14H13FS
Molecular Weight232.32 g/mol
Exact Mass232.07
IUPAC Name1-ethylsulfanyl-4-(3-fluorophenyl)benzene
SMILESCCSc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C14H13FS/c1-2-16-14-8-6-11(7-9-14)12-4-3-5-13(15)10-12/h3-10H,2H2,1H3
InChIKeyCBIVKNSVUPAEET-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethylsulfanyl-4-fluorobenzene;methanol
CID 178124027
2-[3-[4-(3-fluorophenyl)phenyl]phenyl]naphthalene
CID 171056204
4-(3-fluorophenyl)-N,N-dimethylaniline
CID 54450896
4-(3-ethylsulfanylphenyl)-2,6-difluoroaniline
CID 66996832
1-fluoro-3-[4-(methoxymethyl)phenyl]benzene
CID 143262024
1-fluoro-3-phenylbenzene;phosphane;hydrochloride
CID 175120364
1-(3-fluorophenyl)-3,5-diphenylbenzene
CID 141411457
diethyl-[4-(3-fluorophenyl)phenyl]-methoxysilane
CID 90170463
2-[4-(3-fluorophenyl)phenyl]-2-methylpropan-1-amine
CID 82085168
1-ethyl-4-(3-methylsulfanylphenyl)benzene
CID 139494448
5-(4-ethylsulfanylphenyl)pyrimidin-2-amine
CID 39818402
CID 151188564
CID 151188564

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-4-(3-fluorophenyl)benzene?
The IUPAC name of 1-ethylsulfanyl-4-(3-fluorophenyl)benzene (CID 91658089) is 1-ethylsulfanyl-4-(3-fluorophenyl)benzene.
What is the SMILES notation for 1-ethylsulfanyl-4-(3-fluorophenyl)benzene?
The canonical SMILES for 1-ethylsulfanyl-4-(3-fluorophenyl)benzene is CCSc1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of 1-ethylsulfanyl-4-(3-fluorophenyl)benzene?
The InChIKey is CBIVKNSVUPAEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FS/c1-2-16-14-8-6-11(7-9-14)12-4-3-5-13(15)10-12/h3-10H,2H2,1H3.
What are the key properties of 1-ethylsulfanyl-4-(3-fluorophenyl)benzene?
1-ethylsulfanyl-4-(3-fluorophenyl)benzene has a molecular weight of 232.32 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-4-(3-fluorophenyl)benzene is sourced from PubChem (CID 91658089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).