(2-carboxyoxythiophen-3-yl) hydrogen carbonate

C6H4O6S — CID 70397809

IUPAC(2-carboxyoxythiophen-3-yl) hydrogen carbonate
SMILESO=C(O)Oc1ccsc1OC(=O)O
InChIInChI=1S/C6H4O6S/c7-5(8)11-3-1-2-13-4(3)12-6(9)10/h1-2H,(H,7,8)(H,9,10)
InChIKeyJOMGNNOBGLHWKJ-UHFFFAOYSA-N
MW204.16 g/mol
LogP1.86
Rot. Bonds2

About (2-carboxyoxythiophen-3-yl) hydrogen carbonate

(2-carboxyoxythiophen-3-yl) hydrogen carbonate (PubChem CID 70397809) has the molecular formula C6H4O6S and a molecular weight of 204.16 g/mol. Its IUPAC name is (2-carboxyoxythiophen-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-carboxyoxythiophen-3-yl) hydrogen carbonate
PubChem CID70397809
Molecular FormulaC6H4O6S
Molecular Weight204.16 g/mol
Exact Mass203.97
IUPAC Name(2-carboxyoxythiophen-3-yl) hydrogen carbonate
SMILESO=C(O)Oc1ccsc1OC(=O)O
InChIInChI=1S/C6H4O6S/c7-5(8)11-3-1-2-13-4(3)12-6(9)10/h1-2H,(H,7,8)(H,9,10)
InChIKeyJOMGNNOBGLHWKJ-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 (2-carboxyoxythiophen-3-yl) hydrogen carbonate?
The IUPAC name of (2-carboxyoxythiophen-3-yl) hydrogen carbonate (CID 70397809) is (2-carboxyoxythiophen-3-yl) hydrogen carbonate.
What is the SMILES notation for (2-carboxyoxythiophen-3-yl) hydrogen carbonate?
The canonical SMILES for (2-carboxyoxythiophen-3-yl) hydrogen carbonate is O=C(O)Oc1ccsc1OC(=O)O.
What is the InChIKey of (2-carboxyoxythiophen-3-yl) hydrogen carbonate?
The InChIKey is JOMGNNOBGLHWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O6S/c7-5(8)11-3-1-2-13-4(3)12-6(9)10/h1-2H,(H,7,8)(H,9,10).
What are the key properties of (2-carboxyoxythiophen-3-yl) hydrogen carbonate?
(2-carboxyoxythiophen-3-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 (2-carboxyoxythiophen-3-yl) hydrogen carbonate is sourced from PubChem (CID 70397809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).