2-hydroxy-2,2-dithiophen-2-ylacetic acid

C10H8O3S2 — CID 12723754

IUPAC2-hydroxy-2,2-dithiophen-2-ylacetic acid
SMILESO=C(O)C(O)(c1cccs1)c1cccs1
InChIInChI=1S/C10H8O3S2/c11-9(12)10(13,7-3-1-5-14-7)8-4-2-6-15-8/h1-6,13H,(H,11,12)
InChIKeyFVEJUHUCFCAYRP-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.13
Rot. Bonds3

About 2-hydroxy-2,2-dithiophen-2-ylacetic acid

2-hydroxy-2,2-dithiophen-2-ylacetic acid (PubChem CID 12723754) has the molecular formula C10H8O3S2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-hydroxy-2,2-dithiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-hydroxy-2,2-dithiophen-2-ylacetic acid
PubChem CID12723754
Molecular FormulaC10H8O3S2
Molecular Weight240.31 g/mol
Exact Mass239.99
IUPAC Name2-hydroxy-2,2-dithiophen-2-ylacetic acid
SMILESO=C(O)C(O)(c1cccs1)c1cccs1
InChIInChI=1S/C10H8O3S2/c11-9(12)10(13,7-3-1-5-14-7)8-4-2-6-15-8/h1-6,13H,(H,11,12)
InChIKeyFVEJUHUCFCAYRP-UHFFFAOYSA-N
XLogP2.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,2-dithiophen-2-ylacetic acid?
The IUPAC name of 2-hydroxy-2,2-dithiophen-2-ylacetic acid (CID 12723754) is 2-hydroxy-2,2-dithiophen-2-ylacetic acid.
What is the SMILES notation for 2-hydroxy-2,2-dithiophen-2-ylacetic acid?
The canonical SMILES for 2-hydroxy-2,2-dithiophen-2-ylacetic acid is O=C(O)C(O)(c1cccs1)c1cccs1.
What is the InChIKey of 2-hydroxy-2,2-dithiophen-2-ylacetic acid?
The InChIKey is FVEJUHUCFCAYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S2/c11-9(12)10(13,7-3-1-5-14-7)8-4-2-6-15-8/h1-6,13H,(H,11,12).
What are the key properties of 2-hydroxy-2,2-dithiophen-2-ylacetic acid?
2-hydroxy-2,2-dithiophen-2-ylacetic acid has a molecular weight of 240.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,2-dithiophen-2-ylacetic acid is sourced from PubChem (CID 12723754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).