ethane;1-methyl-4-(2-methylsulfonylethyl)benzene

C12H20O2S — CID 143460144

IUPACethane;1-methyl-4-(2-methylsulfonylethyl)benzene
SMILESCC.Cc1ccc(CCS(C)(=O)=O)cc1
InChIInChI=1S/C10H14O2S.C2H6/c1-9-3-5-10(6-4-9)7-8-13(2,11)12;1-2/h3-6H,7-8H2,1-2H3;1-2H3
InChIKeyBTBLTXTXWORVGI-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.61
Rot. Bonds3

About ethane;1-methyl-4-(2-methylsulfonylethyl)benzene

ethane;1-methyl-4-(2-methylsulfonylethyl)benzene (PubChem CID 143460144) has the molecular formula C12H20O2S and a molecular weight of 228.36 g/mol. Its IUPAC name is ethane;1-methyl-4-(2-methylsulfonylethyl)benzene.

Molecular Properties

Compound Nameethane;1-methyl-4-(2-methylsulfonylethyl)benzene
PubChem CID143460144
Molecular FormulaC12H20O2S
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Nameethane;1-methyl-4-(2-methylsulfonylethyl)benzene
SMILESCC.Cc1ccc(CCS(C)(=O)=O)cc1
InChIInChI=1S/C10H14O2S.C2H6/c1-9-3-5-10(6-4-9)7-8-13(2,11)12;1-2/h3-6H,7-8H2,1-2H3;1-2H3
InChIKeyBTBLTXTXWORVGI-UHFFFAOYSA-N
XLogP2.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[2-[2-(4-methylphenyl)ethylsulfonyl]ethyl]benzene
CID 70410777
1-[2-(benzenesulfonyl)ethyl]-4-methylbenzene;ethane
CID 158891776
methanesulfonic acid;1-methyl-4-[4-[2-(4-methylphenyl)ethyl]phenyl]benzene
CID 91314027
(2S)-4-(4-methylphenyl)-N-(2-methylsulfonylethyl)butan-2-amine
CID 97230944
2-[4-(2-methylsulfonylethyl)phenyl]propan-2-ol
CID 117113885
4-[2-(4-methylphenyl)sulfonylethyl]phenol
CID 141218535
N-[4-(4-methylphenyl)butyl]-3-methylsulfonylpropanamide
CID 110627922
5-[4-(2-methylsulfonylethyl)phenyl]-1H-pyrazol-3-amine
CID 115111556
(E)-3-[4-(2-methylsulfonylethyl)phenyl]prop-2-en-1-amine
CID 115111051
3-[2-(4-methylphenyl)ethylsulfonyl]azetidine
CID 115070382
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
6-ethylsulfonyl-1-(4-methylphenyl)hexan-3-one
CID 105103997

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(2-methylsulfonylethyl)benzene?
The IUPAC name of ethane;1-methyl-4-(2-methylsulfonylethyl)benzene (CID 143460144) is ethane;1-methyl-4-(2-methylsulfonylethyl)benzene.
What is the SMILES notation for ethane;1-methyl-4-(2-methylsulfonylethyl)benzene?
The canonical SMILES for ethane;1-methyl-4-(2-methylsulfonylethyl)benzene is CC.Cc1ccc(CCS(C)(=O)=O)cc1.
What is the InChIKey of ethane;1-methyl-4-(2-methylsulfonylethyl)benzene?
The InChIKey is BTBLTXTXWORVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S.C2H6/c1-9-3-5-10(6-4-9)7-8-13(2,11)12;1-2/h3-6H,7-8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-4-(2-methylsulfonylethyl)benzene?
ethane;1-methyl-4-(2-methylsulfonylethyl)benzene has a molecular weight of 228.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(2-methylsulfonylethyl)benzene is sourced from PubChem (CID 143460144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).