2-ethylsulfanyl-2,2-diphenylacetic acid

C16H16O2S — CID 736040

IUPAC2-ethylsulfanyl-2,2-diphenylacetic acid
SMILESCCSC(C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O2S/c1-2-19-16(15(17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,17,18)
InChIKeyNGHYFCDORXGZOD-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.77
Rot. Bonds5

About 2-ethylsulfanyl-2,2-diphenylacetic acid

2-ethylsulfanyl-2,2-diphenylacetic acid (PubChem CID 736040) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-ethylsulfanyl-2,2-diphenylacetic acid.

Molecular Properties

Compound Name2-ethylsulfanyl-2,2-diphenylacetic acid
PubChem CID736040
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name2-ethylsulfanyl-2,2-diphenylacetic acid
SMILESCCSC(C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O2S/c1-2-19-16(15(17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,17,18)
InChIKeyNGHYFCDORXGZOD-UHFFFAOYSA-N
XLogP3.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-2,2-diphenylacetic acid?
The IUPAC name of 2-ethylsulfanyl-2,2-diphenylacetic acid (CID 736040) is 2-ethylsulfanyl-2,2-diphenylacetic acid.
What is the SMILES notation for 2-ethylsulfanyl-2,2-diphenylacetic acid?
The canonical SMILES for 2-ethylsulfanyl-2,2-diphenylacetic acid is CCSC(C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-ethylsulfanyl-2,2-diphenylacetic acid?
The InChIKey is NGHYFCDORXGZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c1-2-19-16(15(17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,17,18).
What are the key properties of 2-ethylsulfanyl-2,2-diphenylacetic acid?
2-ethylsulfanyl-2,2-diphenylacetic acid has a molecular weight of 272.37 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-2,2-diphenylacetic acid is sourced from PubChem (CID 736040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).