1-methyl-2-[2-(4-methylphenyl)ethylsulfanyl]benzene

C16H18S — CID 162413618

IUPAC1-methyl-2-[2-(4-methylphenyl)ethylsulfanyl]benzene
SMILESCc1ccc(CCSc2ccccc2C)cc1
InChIInChI=1S/C16H18S/c1-13-7-9-15(10-8-13)11-12-17-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3
InChIKeyAUSJWRFGOSUFOB-UHFFFAOYSA-N
MW242.39 g/mol
LogP4.64
Rot. Bonds4

About 1-methyl-2-[2-(4-methylphenyl)ethylsulfanyl]benzene

1-methyl-2-[2-(4-methylphenyl)ethylsulfanyl]benzene (PubChem CID 162413618) has the molecular formula C16H18S and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-methyl-2-[2-(4-methylphenyl)ethylsulfanyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[2-(4-methylphenyl)ethylsulfanyl]benzene
PubChem CID162413618
Molecular FormulaC16H18S
Molecular Weight242.39 g/mol
Exact Mass242.11
IUPAC Name1-methyl-2-[2-(4-methylphenyl)ethylsulfanyl]benzene
SMILESCc1ccc(CCSc2ccccc2C)cc1
InChIInChI=1S/C16H18S/c1-13-7-9-15(10-8-13)11-12-17-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3
InChIKeyAUSJWRFGOSUFOB-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-(2-phenylethylsulfanyl)benzene
CID 59416597
1-methyl-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene
CID 162410054
N-benzyl-2-(2-methylphenyl)sulfanylethanamine
CID 55091993
1-(3-bromopropylsulfanyl)-2-methylbenzene
CID 60891790
2-(2-phenylethylsulfanyl)phenol
CID 10823369
1-methyl-2-undecylsulfanylbenzene
CID 173415196
[1-(2-methylphenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine
CID 105237337
1,3-dimethyl-2-[2-(4-methylphenyl)ethyl]benzene
CID 143282666
4-(4-methylphenyl)-1-phenylbutan-2-amine
CID 55084075
2-[2-(4-chlorophenyl)ethylsulfanyl]aniline
CID 101473757
acetaldehyde;1-benzylsulfanyl-2-methylbenzene
CID 142946085
5-(2-methylphenyl)sulfanylpentan-2-amine
CID 64649281

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(4-methylphenyl)ethylsulfanyl]benzene?
The IUPAC name of 1-methyl-2-[2-(4-methylphenyl)ethylsulfanyl]benzene (CID 162413618) is 1-methyl-2-[2-(4-methylphenyl)ethylsulfanyl]benzene.
What is the SMILES notation for 1-methyl-2-[2-(4-methylphenyl)ethylsulfanyl]benzene?
The canonical SMILES for 1-methyl-2-[2-(4-methylphenyl)ethylsulfanyl]benzene is Cc1ccc(CCSc2ccccc2C)cc1.
What is the InChIKey of 1-methyl-2-[2-(4-methylphenyl)ethylsulfanyl]benzene?
The InChIKey is AUSJWRFGOSUFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18S/c1-13-7-9-15(10-8-13)11-12-17-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-methyl-2-[2-(4-methylphenyl)ethylsulfanyl]benzene?
1-methyl-2-[2-(4-methylphenyl)ethylsulfanyl]benzene has a molecular weight of 242.39 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(4-methylphenyl)ethylsulfanyl]benzene is sourced from PubChem (CID 162413618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).