1-methyl-2-(2-methylsulfinylphenyl)benzene

C14H14OS — CID 67317752

IUPAC1-methyl-2-(2-methylsulfinylphenyl)benzene
SMILESCc1ccccc1-c1ccccc1S(C)=O
InChIInChI=1S/C14H14OS/c1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)16(2)15/h3-10H,1-2H3
InChIKeyJCHGHOZPNWKTBY-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.40
Rot. Bonds2

About 1-methyl-2-(2-methylsulfinylphenyl)benzene

1-methyl-2-(2-methylsulfinylphenyl)benzene (PubChem CID 67317752) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-methyl-2-(2-methylsulfinylphenyl)benzene.

Molecular Properties

Compound Name1-methyl-2-(2-methylsulfinylphenyl)benzene
PubChem CID67317752
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name1-methyl-2-(2-methylsulfinylphenyl)benzene
SMILESCc1ccccc1-c1ccccc1S(C)=O
InChIInChI=1S/C14H14OS/c1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)16(2)15/h3-10H,1-2H3
InChIKeyJCHGHOZPNWKTBY-UHFFFAOYSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylsulfinylphenyl)benzene?
The IUPAC name of 1-methyl-2-(2-methylsulfinylphenyl)benzene (CID 67317752) is 1-methyl-2-(2-methylsulfinylphenyl)benzene.
What is the SMILES notation for 1-methyl-2-(2-methylsulfinylphenyl)benzene?
The canonical SMILES for 1-methyl-2-(2-methylsulfinylphenyl)benzene is Cc1ccccc1-c1ccccc1S(C)=O.
What is the InChIKey of 1-methyl-2-(2-methylsulfinylphenyl)benzene?
The InChIKey is JCHGHOZPNWKTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)16(2)15/h3-10H,1-2H3.
What are the key properties of 1-methyl-2-(2-methylsulfinylphenyl)benzene?
1-methyl-2-(2-methylsulfinylphenyl)benzene has a molecular weight of 230.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylsulfinylphenyl)benzene is sourced from PubChem (CID 67317752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).