2-ethylsulfanyl-2,2-diphenylacetate

C16H15O2S- — CID 22173973

IUPAC2-ethylsulfanyl-2,2-diphenylacetate
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)/p-1
InChIKeyNGHYFCDORXGZOD-UHFFFAOYSA-M
MW271.36 g/mol
LogP2.43
Rot. Bonds5

About 2-ethylsulfanyl-2,2-diphenylacetate

2-ethylsulfanyl-2,2-diphenylacetate (PubChem CID 22173973) has the molecular formula C16H15O2S- and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-ethylsulfanyl-2,2-diphenylacetate.

Molecular Properties

Compound Name2-ethylsulfanyl-2,2-diphenylacetate
PubChem CID22173973
Molecular FormulaC16H15O2S-
Molecular Weight271.36 g/mol
Exact Mass271.08
IUPAC Name2-ethylsulfanyl-2,2-diphenylacetate
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)/p-1
InChIKeyNGHYFCDORXGZOD-UHFFFAOYSA-M
XLogP2.43
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethylsulfanyl]-2-phenylpentanoate
CID 57359331
magnesium bis(2-methyl-2-phenylpropanoate)
CID 141248278
sodium 2-methyl-2-phenylpropanoate
CID 141248267
(2S)-2-hydroxy-2-phenylpropanoate
CID 6932633
calcium 2,2-diphenylpropanedioate
CID 153423965
dipotassium;2-butyl-2-phenylpropanedioate
CID 139411291
dilithium;2-butyl-2-phenylpropanedioate
CID 139411834
propanoate;trimethyl(trityl)phosphanium
CID 18355979
dilithium;2-pentyl-2-phenylpropanedioate
CID 139412066
2-hydroxy-2,2-diphenylacetate;hydrochloride
CID 21418239
calcium 2-tert-butyl-2-phenylpropanedioate
CID 153423901
diethyl-[2-[2-ethylsulfanyl-2-(2-fluorophenyl)-2-phenylacetyl]oxyethyl]-methylazanium iodide
CID 10839964

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-2,2-diphenylacetate?
The IUPAC name of 2-ethylsulfanyl-2,2-diphenylacetate (CID 22173973) is 2-ethylsulfanyl-2,2-diphenylacetate.
What is the SMILES notation for 2-ethylsulfanyl-2,2-diphenylacetate?
The canonical SMILES for 2-ethylsulfanyl-2,2-diphenylacetate is CCSC(C(=O)[O-])(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-ethylsulfanyl-2,2-diphenylacetate?
The InChIKey is NGHYFCDORXGZOD-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-ethylsulfanyl-2,2-diphenylacetate?
2-ethylsulfanyl-2,2-diphenylacetate has a molecular weight of 271.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-2,2-diphenylacetate is sourced from PubChem (CID 22173973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).