(5-carboxyoxythiophen-2-yl) hydrogen carbonate

C6H4O6S — CID 23189622

IUPAC(5-carboxyoxythiophen-2-yl) hydrogen carbonate
SMILESO=C(O)Oc1ccc(OC(=O)O)s1
InChIInChI=1S/C6H4O6S/c7-5(8)11-3-1-2-4(13-3)12-6(9)10/h1-2H,(H,7,8)(H,9,10)
InChIKeyNOHIDFQOARSVGM-UHFFFAOYSA-N
MW204.16 g/mol
LogP1.86
Rot. Bonds2

About (5-carboxyoxythiophen-2-yl) hydrogen carbonate

(5-carboxyoxythiophen-2-yl) hydrogen carbonate (PubChem CID 23189622) has the molecular formula C6H4O6S and a molecular weight of 204.16 g/mol. Its IUPAC name is (5-carboxyoxythiophen-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(5-carboxyoxythiophen-2-yl) hydrogen carbonate
PubChem CID23189622
Molecular FormulaC6H4O6S
Molecular Weight204.16 g/mol
Exact Mass203.97
IUPAC Name(5-carboxyoxythiophen-2-yl) hydrogen carbonate
SMILESO=C(O)Oc1ccc(OC(=O)O)s1
InChIInChI=1S/C6H4O6S/c7-5(8)11-3-1-2-4(13-3)12-6(9)10/h1-2H,(H,7,8)(H,9,10)
InChIKeyNOHIDFQOARSVGM-UHFFFAOYSA-N
XLogP1.86
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-carboxyoxythiophen-2-yl) hydrogen carbonate?
The IUPAC name of (5-carboxyoxythiophen-2-yl) hydrogen carbonate (CID 23189622) is (5-carboxyoxythiophen-2-yl) hydrogen carbonate.
What is the SMILES notation for (5-carboxyoxythiophen-2-yl) hydrogen carbonate?
The canonical SMILES for (5-carboxyoxythiophen-2-yl) hydrogen carbonate is O=C(O)Oc1ccc(OC(=O)O)s1.
What is the InChIKey of (5-carboxyoxythiophen-2-yl) hydrogen carbonate?
The InChIKey is NOHIDFQOARSVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O6S/c7-5(8)11-3-1-2-4(13-3)12-6(9)10/h1-2H,(H,7,8)(H,9,10).
What are the key properties of (5-carboxyoxythiophen-2-yl) hydrogen carbonate?
(5-carboxyoxythiophen-2-yl) hydrogen carbonate has a molecular weight of 204.16 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-carboxyoxythiophen-2-yl) hydrogen carbonate is sourced from PubChem (CID 23189622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).