1,2-dimethyl-3-(1-methylsulfanylethyl)benzene

C11H16S — CID 86182436

IUPAC1,2-dimethyl-3-(1-methylsulfanylethyl)benzene
SMILESCSC(C)c1cccc(C)c1C
InChIInChI=1S/C11H16S/c1-8-6-5-7-11(9(8)2)10(3)12-4/h5-7,10H,1-4H3
InChIKeyIVRDRAYGQDZSAV-UHFFFAOYSA-N
MW180.32 g/mol
LogP3.73
Rot. Bonds2

About 1,2-dimethyl-3-(1-methylsulfanylethyl)benzene

1,2-dimethyl-3-(1-methylsulfanylethyl)benzene (PubChem CID 86182436) has the molecular formula C11H16S and a molecular weight of 180.32 g/mol. Its IUPAC name is 1,2-dimethyl-3-(1-methylsulfanylethyl)benzene.

Molecular Properties

Compound Name1,2-dimethyl-3-(1-methylsulfanylethyl)benzene
PubChem CID86182436
Molecular FormulaC11H16S
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name1,2-dimethyl-3-(1-methylsulfanylethyl)benzene
SMILESCSC(C)c1cccc(C)c1C
InChIInChI=1S/C11H16S/c1-8-6-5-7-11(9(8)2)10(3)12-4/h5-7,10H,1-4H3
InChIKeyIVRDRAYGQDZSAV-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-1-methyl-3-(1-methylsulfanylethyl)benzene
CID 143754852
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine
CID 83921996
1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 22486887
1-(2,3-dimethylphenyl)-2-methylsulfanylethanol
CID 62692978
N-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine
CID 115705431
2-(1-methylsulfanylethyl)-6-propan-2-ylphenol
CID 170547306
1-(2,3-dimethylphenyl)-N-methyl-2-methylsulfanylethanamine
CID 62691947
(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
CID 130869283
(2S)-2-(2,3-dimethylphenyl)propanoyl chloride
CID 177150078
1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene
CID 139620265
1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine
CID 115850536

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(1-methylsulfanylethyl)benzene?
The IUPAC name of 1,2-dimethyl-3-(1-methylsulfanylethyl)benzene (CID 86182436) is 1,2-dimethyl-3-(1-methylsulfanylethyl)benzene.
What is the SMILES notation for 1,2-dimethyl-3-(1-methylsulfanylethyl)benzene?
The canonical SMILES for 1,2-dimethyl-3-(1-methylsulfanylethyl)benzene is CSC(C)c1cccc(C)c1C.
What is the InChIKey of 1,2-dimethyl-3-(1-methylsulfanylethyl)benzene?
The InChIKey is IVRDRAYGQDZSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16S/c1-8-6-5-7-11(9(8)2)10(3)12-4/h5-7,10H,1-4H3.
What are the key properties of 1,2-dimethyl-3-(1-methylsulfanylethyl)benzene?
1,2-dimethyl-3-(1-methylsulfanylethyl)benzene has a molecular weight of 180.32 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(1-methylsulfanylethyl)benzene is sourced from PubChem (CID 86182436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).