2-(5-methyl-2-phenylsulfanylphenyl)acetic acid

C15H14O2S — CID 12539105

IUPAC2-(5-methyl-2-phenylsulfanylphenyl)acetic acid
SMILESCc1ccc(Sc2ccccc2)c(CC(=O)O)c1
InChIInChI=1S/C15H14O2S/c1-11-7-8-14(12(9-11)10-15(16)17)18-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,16,17)
InChIKeyHNNGXGIBBSRCIO-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.77
Rot. Bonds4

About 2-(5-methyl-2-phenylsulfanylphenyl)acetic acid

2-(5-methyl-2-phenylsulfanylphenyl)acetic acid (PubChem CID 12539105) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(5-methyl-2-phenylsulfanylphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-2-phenylsulfanylphenyl)acetic acid
PubChem CID12539105
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name2-(5-methyl-2-phenylsulfanylphenyl)acetic acid
SMILESCc1ccc(Sc2ccccc2)c(CC(=O)O)c1
InChIInChI=1S/C15H14O2S/c1-11-7-8-14(12(9-11)10-15(16)17)18-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,16,17)
InChIKeyHNNGXGIBBSRCIO-UHFFFAOYSA-N
XLogP3.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid
CID 10706368
[5-methyl-2-(4-methylsulfanylphenyl)sulfanylphenyl]methanol
CID 54147084
methyl 5-methyl-2-phenylsulfanylbenzoate
CID 21481132
4-methyl-1-[(4-methyl-2-phenylsulfanylphenyl)disulfanyl]-2-phenylsulfanylbenzene
CID 22351744
2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide
CID 28571076
2-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]acetic acid
CID 12957639
3-(2-phenylsulfanylphenyl)propanoic acid
CID 12551986
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid
CID 15125729
2-[2-(iodomethyl)-5-methylphenyl]acetic acid
CID 91883927
methyl 2-(5-acetyl-2-phenylsulfanylphenyl)acetate
CID 86050884
4-methyl-2-phenylsulfanylbenzaldehyde
CID 86250344

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-phenylsulfanylphenyl)acetic acid?
The IUPAC name of 2-(5-methyl-2-phenylsulfanylphenyl)acetic acid (CID 12539105) is 2-(5-methyl-2-phenylsulfanylphenyl)acetic acid.
What is the SMILES notation for 2-(5-methyl-2-phenylsulfanylphenyl)acetic acid?
The canonical SMILES for 2-(5-methyl-2-phenylsulfanylphenyl)acetic acid is Cc1ccc(Sc2ccccc2)c(CC(=O)O)c1.
What is the InChIKey of 2-(5-methyl-2-phenylsulfanylphenyl)acetic acid?
The InChIKey is HNNGXGIBBSRCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-11-7-8-14(12(9-11)10-15(16)17)18-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 2-(5-methyl-2-phenylsulfanylphenyl)acetic acid?
2-(5-methyl-2-phenylsulfanylphenyl)acetic acid has a molecular weight of 258.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-phenylsulfanylphenyl)acetic acid is sourced from PubChem (CID 12539105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).