1-ethyl-4-(3-methylsulfanylphenyl)benzene

C15H16S — CID 139494448

IUPAC1-ethyl-4-(3-methylsulfanylphenyl)benzene
SMILESCCc1ccc(-c2cccc(SC)c2)cc1
InChIInChI=1S/C15H16S/c1-3-12-7-9-13(10-8-12)14-5-4-6-15(11-14)16-2/h4-11H,3H2,1-2H3
InChIKeyZCZUMQKFRKHJAV-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.64
Rot. Bonds3

About 1-ethyl-4-(3-methylsulfanylphenyl)benzene

1-ethyl-4-(3-methylsulfanylphenyl)benzene (PubChem CID 139494448) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-ethyl-4-(3-methylsulfanylphenyl)benzene.

Molecular Properties

Compound Name1-ethyl-4-(3-methylsulfanylphenyl)benzene
PubChem CID139494448
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name1-ethyl-4-(3-methylsulfanylphenyl)benzene
SMILESCCc1ccc(-c2cccc(SC)c2)cc1
InChIInChI=1S/C15H16S/c1-3-12-7-9-13(10-8-12)14-5-4-6-15(11-14)16-2/h4-11H,3H2,1-2H3
InChIKeyZCZUMQKFRKHJAV-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-methylsulfanylbenzene
CID 14944133
1-ethyl-4-(3-methylphenyl)benzene
CID 12641077
1-ethyl-4-methylsulfanylbenzene
CID 142218139
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
1-bromo-3-(3-methylsulfanylphenyl)benzene
CID 15661513
1-ethenyl-3-[4-(4-ethylphenyl)phenyl]benzene
CID 174010619
ethane;1-ethyl-4-phenylbenzene;methane
CID 142852812
1-ethyl-4-methylsulfanylbenzene;methanamine
CID 168997767
acetylene;1-ethyl-4-phenylbenzene
CID 175126841
1-ethyl-3-[4-(iodomethyl)phenyl]benzene
CID 138533012
1-[3-(4-ethylphenyl)phenyl]ethanamine
CID 55134062
3-(3-methylsulfanylphenyl)-6-(4-propylphenyl)pyrazolo[1,5-a]pyrimidine
CID 166824919

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-methylsulfanylphenyl)benzene?
The IUPAC name of 1-ethyl-4-(3-methylsulfanylphenyl)benzene (CID 139494448) is 1-ethyl-4-(3-methylsulfanylphenyl)benzene.
What is the SMILES notation for 1-ethyl-4-(3-methylsulfanylphenyl)benzene?
The canonical SMILES for 1-ethyl-4-(3-methylsulfanylphenyl)benzene is CCc1ccc(-c2cccc(SC)c2)cc1.
What is the InChIKey of 1-ethyl-4-(3-methylsulfanylphenyl)benzene?
The InChIKey is ZCZUMQKFRKHJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c1-3-12-7-9-13(10-8-12)14-5-4-6-15(11-14)16-2/h4-11H,3H2,1-2H3.
What are the key properties of 1-ethyl-4-(3-methylsulfanylphenyl)benzene?
1-ethyl-4-(3-methylsulfanylphenyl)benzene has a molecular weight of 228.36 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-methylsulfanylphenyl)benzene is sourced from PubChem (CID 139494448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).