4-(2-chlorophenyl)sulfanylbenzoic acid

C13H9ClO2S — CID 15727826

IUPAC4-(2-chlorophenyl)sulfanylbenzoic acid
SMILESO=C(O)c1ccc(Sc2ccccc2Cl)cc1
InChIInChI=1S/C13H9ClO2S/c14-11-3-1-2-4-12(11)17-10-7-5-9(6-8-10)13(15)16/h1-8H,(H,15,16)
InChIKeyZHDLDVXKMIFTOT-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.19
Rot. Bonds3

About 4-(2-chlorophenyl)sulfanylbenzoic acid

4-(2-chlorophenyl)sulfanylbenzoic acid (PubChem CID 15727826) has the molecular formula C13H9ClO2S and a molecular weight of 264.73 g/mol. Its IUPAC name is 4-(2-chlorophenyl)sulfanylbenzoic acid.

Molecular Properties

Compound Name4-(2-chlorophenyl)sulfanylbenzoic acid
PubChem CID15727826
Molecular FormulaC13H9ClO2S
Molecular Weight264.73 g/mol
Exact Mass264.00
IUPAC Name4-(2-chlorophenyl)sulfanylbenzoic acid
SMILESO=C(O)c1ccc(Sc2ccccc2Cl)cc1
InChIInChI=1S/C13H9ClO2S/c14-11-3-1-2-4-12(11)17-10-7-5-9(6-8-10)13(15)16/h1-8H,(H,15,16)
InChIKeyZHDLDVXKMIFTOT-UHFFFAOYSA-N
XLogP4.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)sulfanylbenzoic acid?
The IUPAC name of 4-(2-chlorophenyl)sulfanylbenzoic acid (CID 15727826) is 4-(2-chlorophenyl)sulfanylbenzoic acid.
What is the SMILES notation for 4-(2-chlorophenyl)sulfanylbenzoic acid?
The canonical SMILES for 4-(2-chlorophenyl)sulfanylbenzoic acid is O=C(O)c1ccc(Sc2ccccc2Cl)cc1.
What is the InChIKey of 4-(2-chlorophenyl)sulfanylbenzoic acid?
The InChIKey is ZHDLDVXKMIFTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO2S/c14-11-3-1-2-4-12(11)17-10-7-5-9(6-8-10)13(15)16/h1-8H,(H,15,16).
What are the key properties of 4-(2-chlorophenyl)sulfanylbenzoic acid?
4-(2-chlorophenyl)sulfanylbenzoic acid has a molecular weight of 264.73 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)sulfanylbenzoic acid is sourced from PubChem (CID 15727826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).