2-[(R)-(2-thiophen-3-ylphenyl)methylsulfinyl]acetic acid

C13H12O3S2 — CID 129364190

IUPAC2-[(R)-(2-thiophen-3-ylphenyl)methylsulfinyl]acetic acid
SMILESO=C(O)C[S@](=O)Cc1ccccc1-c1ccsc1
InChIInChI=1S/C13H12O3S2/c14-13(15)9-18(16)8-11-3-1-2-4-12(11)10-5-6-17-7-10/h1-7H,8-9H2,(H,14,15)/t18-/m1/s1
InChIKeyFKXAAGIXLOAVIX-GOSISDBHSA-N
MW280.37 g/mol
LogP2.75
Rot. Bonds5

About 2-[(R)-(2-thiophen-3-ylphenyl)methylsulfinyl]acetic acid

2-[(R)-(2-thiophen-3-ylphenyl)methylsulfinyl]acetic acid (PubChem CID 129364190) has the molecular formula C13H12O3S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(R)-(2-thiophen-3-ylphenyl)methylsulfinyl]acetic acid.

Molecular Properties

Compound Name2-[(R)-(2-thiophen-3-ylphenyl)methylsulfinyl]acetic acid
PubChem CID129364190
Molecular FormulaC13H12O3S2
Molecular Weight280.37 g/mol
Exact Mass280.02
IUPAC Name2-[(R)-(2-thiophen-3-ylphenyl)methylsulfinyl]acetic acid
SMILESO=C(O)C[S@](=O)Cc1ccccc1-c1ccsc1
InChIInChI=1S/C13H12O3S2/c14-13(15)9-18(16)8-11-3-1-2-4-12(11)10-5-6-17-7-10/h1-7H,8-9H2,(H,14,15)/t18-/m1/s1
InChIKeyFKXAAGIXLOAVIX-GOSISDBHSA-N
XLogP2.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(2-thiophen-3-ylphenyl)methylsulfinyl]acetic acid?
The IUPAC name of 2-[(R)-(2-thiophen-3-ylphenyl)methylsulfinyl]acetic acid (CID 129364190) is 2-[(R)-(2-thiophen-3-ylphenyl)methylsulfinyl]acetic acid.
What is the SMILES notation for 2-[(R)-(2-thiophen-3-ylphenyl)methylsulfinyl]acetic acid?
The canonical SMILES for 2-[(R)-(2-thiophen-3-ylphenyl)methylsulfinyl]acetic acid is O=C(O)C[S@](=O)Cc1ccccc1-c1ccsc1.
What is the InChIKey of 2-[(R)-(2-thiophen-3-ylphenyl)methylsulfinyl]acetic acid?
The InChIKey is FKXAAGIXLOAVIX-GOSISDBHSA-N. The full InChI is InChI=1S/C13H12O3S2/c14-13(15)9-18(16)8-11-3-1-2-4-12(11)10-5-6-17-7-10/h1-7H,8-9H2,(H,14,15)/t18-/m1/s1.
What are the key properties of 2-[(R)-(2-thiophen-3-ylphenyl)methylsulfinyl]acetic acid?
2-[(R)-(2-thiophen-3-ylphenyl)methylsulfinyl]acetic acid has a molecular weight of 280.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(2-thiophen-3-ylphenyl)methylsulfinyl]acetic acid is sourced from PubChem (CID 129364190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).