2-(dinaphthalen-2-ylmethylsulfanyl)acetic acid

C23H18O2S — CID 23372979

IUPAC2-(dinaphthalen-2-ylmethylsulfanyl)acetic acid
SMILESO=C(O)CSC(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C23H18O2S/c24-22(25)15-26-23(20-11-9-16-5-1-3-7-18(16)13-20)21-12-10-17-6-2-4-8-19(17)14-21/h1-14,23H,15H2,(H,24,25)
InChIKeyFKYNZDHFIBWMIO-UHFFFAOYSA-N
MW358.46 g/mol
LogP5.90
Rot. Bonds5

About 2-(dinaphthalen-2-ylmethylsulfanyl)acetic acid

2-(dinaphthalen-2-ylmethylsulfanyl)acetic acid (PubChem CID 23372979) has the molecular formula C23H18O2S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-(dinaphthalen-2-ylmethylsulfanyl)acetic acid.

Molecular Properties

Compound Name2-(dinaphthalen-2-ylmethylsulfanyl)acetic acid
PubChem CID23372979
Molecular FormulaC23H18O2S
Molecular Weight358.46 g/mol
Exact Mass358.10
IUPAC Name2-(dinaphthalen-2-ylmethylsulfanyl)acetic acid
SMILESO=C(O)CSC(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C23H18O2S/c24-22(25)15-26-23(20-11-9-16-5-1-3-7-18(16)13-20)21-12-10-17-6-2-4-8-19(17)14-21/h1-14,23H,15H2,(H,24,25)
InChIKeyFKYNZDHFIBWMIO-UHFFFAOYSA-N
XLogP5.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.46
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(dinaphthalen-2-ylmethylsulfanyl)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

Frequently Asked Questions

What is the IUPAC name of 2-(dinaphthalen-2-ylmethylsulfanyl)acetic acid?
The IUPAC name of 2-(dinaphthalen-2-ylmethylsulfanyl)acetic acid (CID 23372979) is 2-(dinaphthalen-2-ylmethylsulfanyl)acetic acid.
What is the SMILES notation for 2-(dinaphthalen-2-ylmethylsulfanyl)acetic acid?
The canonical SMILES for 2-(dinaphthalen-2-ylmethylsulfanyl)acetic acid is O=C(O)CSC(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-(dinaphthalen-2-ylmethylsulfanyl)acetic acid?
The InChIKey is FKYNZDHFIBWMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O2S/c24-22(25)15-26-23(20-11-9-16-5-1-3-7-18(16)13-20)21-12-10-17-6-2-4-8-19(17)14-21/h1-14,23H,15H2,(H,24,25).
What are the key properties of 2-(dinaphthalen-2-ylmethylsulfanyl)acetic acid?
2-(dinaphthalen-2-ylmethylsulfanyl)acetic acid has a molecular weight of 358.46 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dinaphthalen-2-ylmethylsulfanyl)acetic acid is sourced from PubChem (CID 23372979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).