2-(2,3-dichlorophenyl)sulfanyl-2-phenylacetic acid

C14H10Cl2O2S — CID 22685265

IUPAC2-(2,3-dichlorophenyl)sulfanyl-2-phenylacetic acid
SMILESO=C(O)C(Sc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C14H10Cl2O2S/c15-10-7-4-8-11(12(10)16)19-13(14(17)18)9-5-2-1-3-6-9/h1-8,13H,(H,17,18)
InChIKeyFGYNXQCFYVCBGC-UHFFFAOYSA-N
MW313.21 g/mol
LogP4.91
Rot. Bonds4

About 2-(2,3-dichlorophenyl)sulfanyl-2-phenylacetic acid

2-(2,3-dichlorophenyl)sulfanyl-2-phenylacetic acid (PubChem CID 22685265) has the molecular formula C14H10Cl2O2S and a molecular weight of 313.21 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)sulfanyl-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)sulfanyl-2-phenylacetic acid
PubChem CID22685265
Molecular FormulaC14H10Cl2O2S
Molecular Weight313.21 g/mol
Exact Mass311.98
IUPAC Name2-(2,3-dichlorophenyl)sulfanyl-2-phenylacetic acid
SMILESO=C(O)C(Sc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C14H10Cl2O2S/c15-10-7-4-8-11(12(10)16)19-13(14(17)18)9-5-2-1-3-6-9/h1-8,13H,(H,17,18)
InChIKeyFGYNXQCFYVCBGC-UHFFFAOYSA-N
XLogP4.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)sulfanyl-2-phenylacetic acid?
The IUPAC name of 2-(2,3-dichlorophenyl)sulfanyl-2-phenylacetic acid (CID 22685265) is 2-(2,3-dichlorophenyl)sulfanyl-2-phenylacetic acid.
What is the SMILES notation for 2-(2,3-dichlorophenyl)sulfanyl-2-phenylacetic acid?
The canonical SMILES for 2-(2,3-dichlorophenyl)sulfanyl-2-phenylacetic acid is O=C(O)C(Sc1cccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of 2-(2,3-dichlorophenyl)sulfanyl-2-phenylacetic acid?
The InChIKey is FGYNXQCFYVCBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2S/c15-10-7-4-8-11(12(10)16)19-13(14(17)18)9-5-2-1-3-6-9/h1-8,13H,(H,17,18).
What are the key properties of 2-(2,3-dichlorophenyl)sulfanyl-2-phenylacetic acid?
2-(2,3-dichlorophenyl)sulfanyl-2-phenylacetic acid has a molecular weight of 313.21 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)sulfanyl-2-phenylacetic acid is sourced from PubChem (CID 22685265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).