2-hydroxy-1,2-dithiophen-2-ylethanone

C10H8O2S2 — CID 2734800

IUPAC2-hydroxy-1,2-dithiophen-2-ylethanone
SMILESO=C(c1cccs1)C(O)c1cccs1
InChIInChI=1S/C10H8O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H
InChIKeyOGWZIOZTPNLTCR-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.73
Rot. Bonds3

About 2-hydroxy-1,2-dithiophen-2-ylethanone

2-hydroxy-1,2-dithiophen-2-ylethanone (PubChem CID 2734800) has the molecular formula C10H8O2S2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-hydroxy-1,2-dithiophen-2-ylethanone.

Molecular Properties

Compound Name2-hydroxy-1,2-dithiophen-2-ylethanone
PubChem CID2734800
Molecular FormulaC10H8O2S2
Molecular Weight224.31 g/mol
Exact Mass224.00
IUPAC Name2-hydroxy-1,2-dithiophen-2-ylethanone
SMILESO=C(c1cccs1)C(O)c1cccs1
InChIInChI=1S/C10H8O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H
InChIKeyOGWZIOZTPNLTCR-UHFFFAOYSA-N
XLogP2.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,2-dithiophen-2-ylethanone?
The IUPAC name of 2-hydroxy-1,2-dithiophen-2-ylethanone (CID 2734800) is 2-hydroxy-1,2-dithiophen-2-ylethanone.
What is the SMILES notation for 2-hydroxy-1,2-dithiophen-2-ylethanone?
The canonical SMILES for 2-hydroxy-1,2-dithiophen-2-ylethanone is O=C(c1cccs1)C(O)c1cccs1.
What is the InChIKey of 2-hydroxy-1,2-dithiophen-2-ylethanone?
The InChIKey is OGWZIOZTPNLTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H.
What are the key properties of 2-hydroxy-1,2-dithiophen-2-ylethanone?
2-hydroxy-1,2-dithiophen-2-ylethanone has a molecular weight of 224.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,2-dithiophen-2-ylethanone is sourced from PubChem (CID 2734800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).