1-methyl-2-methylsulfanyl-3-(4-propan-2-ylphenyl)benzene

C17H20S — CID 144815808

IUPAC1-methyl-2-methylsulfanyl-3-(4-propan-2-ylphenyl)benzene
SMILESCSc1c(C)cccc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C17H20S/c1-12(2)14-8-10-15(11-9-14)16-7-5-6-13(3)17(16)18-4/h5-12H,1-4H3
InChIKeyISEVUPXALBGXEL-UHFFFAOYSA-N
MW256.41 g/mol
LogP5.51
Rot. Bonds3

About 1-methyl-2-methylsulfanyl-3-(4-propan-2-ylphenyl)benzene

1-methyl-2-methylsulfanyl-3-(4-propan-2-ylphenyl)benzene (PubChem CID 144815808) has the molecular formula C17H20S and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-methyl-2-methylsulfanyl-3-(4-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name1-methyl-2-methylsulfanyl-3-(4-propan-2-ylphenyl)benzene
PubChem CID144815808
Molecular FormulaC17H20S
Molecular Weight256.41 g/mol
Exact Mass256.13
IUPAC Name1-methyl-2-methylsulfanyl-3-(4-propan-2-ylphenyl)benzene
SMILESCSc1c(C)cccc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C17H20S/c1-12(2)14-8-10-15(11-9-14)16-7-5-6-13(3)17(16)18-4/h5-12H,1-4H3
InChIKeyISEVUPXALBGXEL-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.41
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-1,3-dimethyl-4-(4-propan-2-ylphenyl)benzene
CID 58689096
1-(4-fluorophenyl)-5-propan-2-ylazulene
CID 19815703
1,3-bis(4-methoxyphenyl)-2-methylsulfanylbenzene
CID 50916407
4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene
CID 71243768
1-tert-butyl-2-(4-propan-2-ylphenyl)benzene
CID 58258601
[2-(4-propan-2-ylphenyl)phenyl]methanol
CID 69041702
3-methyl-2-(4-propan-2-ylphenyl)sulfanylbenzonitrile
CID 107110778
1-chloro-4-propan-2-ylbenzene;1-chloro-2-(4-propan-2-ylphenyl)benzene;cumene;1-methyl-4-propan-2-ylbenzene;1-methyl-2-(4-propan-2-ylphenyl)benzene;1-phenyl-4-propan-2-ylbenzene
CID 161160758
3-(2-methylphenyl)-6-(4-propan-2-ylphenyl)benzo[f]quinazoline
CID 170214830
2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol
CID 121300355
2-chloro-3-(4-propan-2-ylphenyl)pyridine
CID 82082322
4-(2-fluoro-3-methylphenyl)aniline
CID 83394762

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylsulfanyl-3-(4-propan-2-ylphenyl)benzene?
The IUPAC name of 1-methyl-2-methylsulfanyl-3-(4-propan-2-ylphenyl)benzene (CID 144815808) is 1-methyl-2-methylsulfanyl-3-(4-propan-2-ylphenyl)benzene.
What is the SMILES notation for 1-methyl-2-methylsulfanyl-3-(4-propan-2-ylphenyl)benzene?
The canonical SMILES for 1-methyl-2-methylsulfanyl-3-(4-propan-2-ylphenyl)benzene is CSc1c(C)cccc1-c1ccc(C(C)C)cc1.
What is the InChIKey of 1-methyl-2-methylsulfanyl-3-(4-propan-2-ylphenyl)benzene?
The InChIKey is ISEVUPXALBGXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20S/c1-12(2)14-8-10-15(11-9-14)16-7-5-6-13(3)17(16)18-4/h5-12H,1-4H3.
What are the key properties of 1-methyl-2-methylsulfanyl-3-(4-propan-2-ylphenyl)benzene?
1-methyl-2-methylsulfanyl-3-(4-propan-2-ylphenyl)benzene has a molecular weight of 256.41 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylsulfanyl-3-(4-propan-2-ylphenyl)benzene is sourced from PubChem (CID 144815808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).