2-(2-phenylsulfanylphenyl)acetic acid

C14H12O2S — CID 15211

IUPAC2-(2-phenylsulfanylphenyl)acetic acid
SMILESO=C(O)Cc1ccccc1Sc1ccccc1
InChIInChI=1S/C14H12O2S/c15-14(16)10-11-6-4-5-9-13(11)17-12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)
InChIKeyJMIYLNQBNSEKAO-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.46
Rot. Bonds4

About 2-(2-phenylsulfanylphenyl)acetic acid

2-(2-phenylsulfanylphenyl)acetic acid (PubChem CID 15211) has the molecular formula C14H12O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(2-phenylsulfanylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-phenylsulfanylphenyl)acetic acid
PubChem CID15211
Molecular FormulaC14H12O2S
Molecular Weight244.32 g/mol
Exact Mass244.06
IUPAC Name2-(2-phenylsulfanylphenyl)acetic acid
SMILESO=C(O)Cc1ccccc1Sc1ccccc1
InChIInChI=1S/C14H12O2S/c15-14(16)10-11-6-4-5-9-13(11)17-12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)
InChIKeyJMIYLNQBNSEKAO-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-phenylsulfanylphenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,8-Bis((phenylmethyl)thio)octanoic acid
CID 24770514
2,2'-Sulfanediylbis(phenylacetic acid)
CID 269264
2-(Phenylthio)benzoic acid
CID 15210
2-(Benzylsulfanyl)benzoic acid
CID 264182
4-(Phenylthio)benzoic acid
CID 238598
2-Mercaptophenylacetic acid
CID 5127525
2-(1-Benzothiophen-2-yl)acetic acid
CID 12765065
4-(Methylthio)phenylacetic acid
CID 4983912
[2-(Biphenyl-4-sulfonyl)phenyl]acetic Acid
CID 44479701
2-(3''-Ethylsulfanyl-biphenyl-4-yl)-propionic acid
CID 9817355
2,2'-(Dithiobis(4,1-phenylene))diacetic acid
CID 219214
Benzoic acid, o-(phenylsulfinyl)-
CID 36206

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylsulfanylphenyl)acetic acid?
The IUPAC name of 2-(2-phenylsulfanylphenyl)acetic acid (CID 15211) is 2-(2-phenylsulfanylphenyl)acetic acid.
What is the SMILES notation for 2-(2-phenylsulfanylphenyl)acetic acid?
The canonical SMILES for 2-(2-phenylsulfanylphenyl)acetic acid is O=C(O)Cc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-(2-phenylsulfanylphenyl)acetic acid?
The InChIKey is JMIYLNQBNSEKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c15-14(16)10-11-6-4-5-9-13(11)17-12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16).
What are the key properties of 2-(2-phenylsulfanylphenyl)acetic acid?
2-(2-phenylsulfanylphenyl)acetic acid has a molecular weight of 244.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylsulfanylphenyl)acetic acid is sourced from PubChem (CID 15211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).