formaldehyde;thiophene-2-carboxylic acid

C6H6O3S — CID 158716916

IUPACformaldehyde;thiophene-2-carboxylic acid
SMILESC=O.O=C(O)c1cccs1
InChIInChI=1S/C5H4O2S.CH2O/c6-5(7)4-2-1-3-8-4;1-2/h1-3H,(H,6,7);1H2
InChIKeyIJKSOWFBJLOYIQ-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.26
Rot. Bonds1

About formaldehyde;thiophene-2-carboxylic acid

formaldehyde;thiophene-2-carboxylic acid (PubChem CID 158716916) has the molecular formula C6H6O3S and a molecular weight of 158.18 g/mol. Its IUPAC name is formaldehyde;thiophene-2-carboxylic acid.

Molecular Properties

Compound Nameformaldehyde;thiophene-2-carboxylic acid
PubChem CID158716916
Molecular FormulaC6H6O3S
Molecular Weight158.18 g/mol
Exact Mass158.00
IUPAC Nameformaldehyde;thiophene-2-carboxylic acid
SMILESC=O.O=C(O)c1cccs1
InChIInChI=1S/C5H4O2S.CH2O/c6-5(7)4-2-1-3-8-4;1-2/h1-3H,(H,6,7);1H2
InChIKeyIJKSOWFBJLOYIQ-UHFFFAOYSA-N
XLogP1.26
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;thiophene-2-carboxylic acid?
The IUPAC name of formaldehyde;thiophene-2-carboxylic acid (CID 158716916) is formaldehyde;thiophene-2-carboxylic acid.
What is the SMILES notation for formaldehyde;thiophene-2-carboxylic acid?
The canonical SMILES for formaldehyde;thiophene-2-carboxylic acid is C=O.O=C(O)c1cccs1.
What is the InChIKey of formaldehyde;thiophene-2-carboxylic acid?
The InChIKey is IJKSOWFBJLOYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2S.CH2O/c6-5(7)4-2-1-3-8-4;1-2/h1-3H,(H,6,7);1H2.
What are the key properties of formaldehyde;thiophene-2-carboxylic acid?
formaldehyde;thiophene-2-carboxylic acid has a molecular weight of 158.18 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;thiophene-2-carboxylic acid is sourced from PubChem (CID 158716916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).