2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropanoic acid

C13H18O2S — CID 82292262

IUPAC2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropanoic acid
SMILESCc1cc(C)c(SC(C)(C)C(=O)O)c(C)c1
InChIInChI=1S/C13H18O2S/c1-8-6-9(2)11(10(3)7-8)16-13(4,5)12(14)15/h6-7H,1-5H3,(H,14,15)
InChIKeyFYELZDZMJCTRSI-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.57
Rot. Bonds3

About 2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropanoic acid

2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropanoic acid (PubChem CID 82292262) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropanoic acid
PubChem CID82292262
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropanoic acid
SMILESCc1cc(C)c(SC(C)(C)C(=O)O)c(C)c1
InChIInChI=1S/C13H18O2S/c1-8-6-9(2)11(10(3)7-8)16-13(4,5)12(14)15/h6-7H,1-5H3,(H,14,15)
InChIKeyFYELZDZMJCTRSI-UHFFFAOYSA-N
XLogP3.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(2,4,6-trimethylphenyl)sulfanylpropanoic acid
CID 116853026
2-methylsulfanyl-2-(2,4,6-trimethylphenyl)propanoic acid
CID 114994488
3,5-dimethyl-4-[2-(2,4,6-trimethylphenyl)propan-2-ylsulfanyl]phenol
CID 143067151
2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropan-1-amine
CID 116853499
2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropanoic acid
CID 81229065
2,2-dimethyl-3-oxo-3-(N,2,4,6-tetramethylanilino)propanoic acid
CID 115163983
2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2-methylpropanoic acid
CID 21449471
2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 82286933
2,2-dimethyl-5-(2,4,6-trimethylphenyl)pentanoic acid
CID 82131216
2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid
CID 106875336
2-(3,5-dimethylphenyl)sulfanyl-2-methylpropanoyl chloride
CID 82041694
2-(2-hydroxyphenyl)sulfanyl-2-methylpropanoic acid
CID 82237250

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropanoic acid?
The IUPAC name of 2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropanoic acid (CID 82292262) is 2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropanoic acid.
What is the SMILES notation for 2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropanoic acid?
The canonical SMILES for 2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropanoic acid is Cc1cc(C)c(SC(C)(C)C(=O)O)c(C)c1.
What is the InChIKey of 2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropanoic acid?
The InChIKey is FYELZDZMJCTRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-8-6-9(2)11(10(3)7-8)16-13(4,5)12(14)15/h6-7H,1-5H3,(H,14,15).
What are the key properties of 2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropanoic acid?
2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropanoic acid has a molecular weight of 238.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropanoic acid is sourced from PubChem (CID 82292262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).