1-ethyl-4-methylsulfanylbenzene

C18H24S2 — CID 142218139

IUPAC1-ethyl-4-methylsulfanylbenzene
SMILESCCc1ccc(SC)cc1.CCc1ccc(SC)cc1
InChIInChI=1S/2C9H12S/c2*1-3-8-4-6-9(10-2)7-5-8/h2*4-7H,3H2,1-2H3
InChIKeyPQGLUEXGYVWWCY-UHFFFAOYSA-N
MW304.52 g/mol
LogP5.94
Rot. Bonds4

About 1-ethyl-4-methylsulfanylbenzene

1-ethyl-4-methylsulfanylbenzene (PubChem CID 142218139) has the molecular formula C18H24S2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 1-ethyl-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1-ethyl-4-methylsulfanylbenzene
PubChem CID142218139
Molecular FormulaC18H24S2
Molecular Weight304.52 g/mol
Exact Mass304.13
IUPAC Name1-ethyl-4-methylsulfanylbenzene
SMILESCCc1ccc(SC)cc1.CCc1ccc(SC)cc1
InChIInChI=1S/2C9H12S/c2*1-3-8-4-6-9(10-2)7-5-8/h2*4-7H,3H2,1-2H3
InChIKeyPQGLUEXGYVWWCY-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-methylsulfanylbenzene;methanamine
CID 168997767
2-(4-ethylphenyl)-1-(4-methylsulfanylphenyl)ethanone
CID 114963469
1-(bromomethyl)-4-methylsulfanylbenzene
CID 11367930
(4-methylsulfanylphenyl)methanethiol
CID 14625012
2-[(E)-2-(4-ethylphenyl)ethenyl]-6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]anthracene
CID 88860115
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
N-[2-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 64866405
1-[(4-ethylphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine;oxalic acid
CID 2901181
CID 15984391
CID 15984391
N-ethyl-N'-[2-(4-methylsulfanylphenyl)ethyl]ethane-1,2-diamine
CID 115206026
1-ethyl-4-(3-methylsulfanylphenyl)benzene
CID 139494448

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylsulfanylbenzene?
The IUPAC name of 1-ethyl-4-methylsulfanylbenzene (CID 142218139) is 1-ethyl-4-methylsulfanylbenzene.
What is the SMILES notation for 1-ethyl-4-methylsulfanylbenzene?
The canonical SMILES for 1-ethyl-4-methylsulfanylbenzene is CCc1ccc(SC)cc1.CCc1ccc(SC)cc1.
What is the InChIKey of 1-ethyl-4-methylsulfanylbenzene?
The InChIKey is PQGLUEXGYVWWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12S/c2*1-3-8-4-6-9(10-2)7-5-8/h2*4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-4-methylsulfanylbenzene?
1-ethyl-4-methylsulfanylbenzene has a molecular weight of 304.52 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylsulfanylbenzene is sourced from PubChem (CID 142218139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).