2-ethyl-1-methyl-3-(1-methylsulfanylethyl)benzene

C12H18S — CID 143754852

IUPAC2-ethyl-1-methyl-3-(1-methylsulfanylethyl)benzene
SMILESCCc1c(C)cccc1C(C)SC
InChIInChI=1S/C12H18S/c1-5-11-9(2)7-6-8-12(11)10(3)13-4/h6-8,10H,5H2,1-4H3
InChIKeyFMHYAYANDYBXGO-UHFFFAOYSA-N
MW194.34 g/mol
LogP3.98
Rot. Bonds3

About 2-ethyl-1-methyl-3-(1-methylsulfanylethyl)benzene

2-ethyl-1-methyl-3-(1-methylsulfanylethyl)benzene (PubChem CID 143754852) has the molecular formula C12H18S and a molecular weight of 194.34 g/mol. Its IUPAC name is 2-ethyl-1-methyl-3-(1-methylsulfanylethyl)benzene.

Molecular Properties

Compound Name2-ethyl-1-methyl-3-(1-methylsulfanylethyl)benzene
PubChem CID143754852
Molecular FormulaC12H18S
Molecular Weight194.34 g/mol
Exact Mass194.11
IUPAC Name2-ethyl-1-methyl-3-(1-methylsulfanylethyl)benzene
SMILESCCc1c(C)cccc1C(C)SC
InChIInChI=1S/C12H18S/c1-5-11-9(2)7-6-8-12(11)10(3)13-4/h6-8,10H,5H2,1-4H3
InChIKeyFMHYAYANDYBXGO-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-1-methyl-3-(1-methylsulfanylethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dimethyl-3-(1-methylsulfanylethyl)benzene
CID 86182436
1-methyl-3-[1-(3-methyl-2-propylphenyl)ethyl]-2-propylbenzene
CID 54553912
1-(2-ethyl-3-methylphenyl)propan-1-amine
CID 55283477
(1R)-1-(2-ethyl-3-methylphenyl)prop-2-en-1-amine
CID 55294117
1-methyl-2-pentyl-3-propan-2-ylbenzene
CID 173336481
(2-butan-2-yl-6-methylphenyl)methanamine;ethane
CID 143860612
(2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine
CID 130971593
2-(1-methylsulfanylethyl)-6-propan-2-ylphenol
CID 170547306
ethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene
CID 144910624
2-butyl-1-ethylsulfanyl-3-methylbenzene
CID 100940163
ethyl 2-(2-methylphenyl)-2-methylsulfanylacetate
CID 12946319
1-(difluoromethoxy)-2-ethyl-3-methylbenzene
CID 118269125

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-3-(1-methylsulfanylethyl)benzene?
The IUPAC name of 2-ethyl-1-methyl-3-(1-methylsulfanylethyl)benzene (CID 143754852) is 2-ethyl-1-methyl-3-(1-methylsulfanylethyl)benzene.
What is the SMILES notation for 2-ethyl-1-methyl-3-(1-methylsulfanylethyl)benzene?
The canonical SMILES for 2-ethyl-1-methyl-3-(1-methylsulfanylethyl)benzene is CCc1c(C)cccc1C(C)SC.
What is the InChIKey of 2-ethyl-1-methyl-3-(1-methylsulfanylethyl)benzene?
The InChIKey is FMHYAYANDYBXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18S/c1-5-11-9(2)7-6-8-12(11)10(3)13-4/h6-8,10H,5H2,1-4H3.
What are the key properties of 2-ethyl-1-methyl-3-(1-methylsulfanylethyl)benzene?
2-ethyl-1-methyl-3-(1-methylsulfanylethyl)benzene has a molecular weight of 194.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-3-(1-methylsulfanylethyl)benzene is sourced from PubChem (CID 143754852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).