2-[(5R)-7-oxo-4,5-dihydrothieno[2,3-c]pyran-5-yl]acetic acid

C9H8O4S — CID 164674895

IUPAC2-[(5R)-7-oxo-4,5-dihydrothieno[2,3-c]pyran-5-yl]acetic acid
SMILESO=C(O)C[C@H]1Cc2ccsc2C(=O)O1
InChIInChI=1S/C9H8O4S/c10-7(11)4-6-3-5-1-2-14-8(5)9(12)13-6/h1-2,6H,3-4H2,(H,10,11)/t6-/m1/s1
InChIKeyTXUWCUXRSYIYBH-ZCFIWIBFSA-N
MW212.23 g/mol
LogP1.30
Rot. Bonds2

About 2-[(5R)-7-oxo-4,5-dihydrothieno[2,3-c]pyran-5-yl]acetic acid

2-[(5R)-7-oxo-4,5-dihydrothieno[2,3-c]pyran-5-yl]acetic acid (PubChem CID 164674895) has the molecular formula C9H8O4S and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-[(5R)-7-oxo-4,5-dihydrothieno[2,3-c]pyran-5-yl]acetic acid.

Molecular Properties

Compound Name2-[(5R)-7-oxo-4,5-dihydrothieno[2,3-c]pyran-5-yl]acetic acid
PubChem CID164674895
Molecular FormulaC9H8O4S
Molecular Weight212.23 g/mol
Exact Mass212.01
IUPAC Name2-[(5R)-7-oxo-4,5-dihydrothieno[2,3-c]pyran-5-yl]acetic acid
SMILESO=C(O)C[C@H]1Cc2ccsc2C(=O)O1
InChIInChI=1S/C9H8O4S/c10-7(11)4-6-3-5-1-2-14-8(5)9(12)13-6/h1-2,6H,3-4H2,(H,10,11)/t6-/m1/s1
InChIKeyTXUWCUXRSYIYBH-ZCFIWIBFSA-N
XLogP1.30
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-7-oxo-4,5-dihydrothieno[2,3-c]pyran-5-yl]acetic acid?
The IUPAC name of 2-[(5R)-7-oxo-4,5-dihydrothieno[2,3-c]pyran-5-yl]acetic acid (CID 164674895) is 2-[(5R)-7-oxo-4,5-dihydrothieno[2,3-c]pyran-5-yl]acetic acid.
What is the SMILES notation for 2-[(5R)-7-oxo-4,5-dihydrothieno[2,3-c]pyran-5-yl]acetic acid?
The canonical SMILES for 2-[(5R)-7-oxo-4,5-dihydrothieno[2,3-c]pyran-5-yl]acetic acid is O=C(O)C[C@H]1Cc2ccsc2C(=O)O1.
What is the InChIKey of 2-[(5R)-7-oxo-4,5-dihydrothieno[2,3-c]pyran-5-yl]acetic acid?
The InChIKey is TXUWCUXRSYIYBH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H8O4S/c10-7(11)4-6-3-5-1-2-14-8(5)9(12)13-6/h1-2,6H,3-4H2,(H,10,11)/t6-/m1/s1.
What are the key properties of 2-[(5R)-7-oxo-4,5-dihydrothieno[2,3-c]pyran-5-yl]acetic acid?
2-[(5R)-7-oxo-4,5-dihydrothieno[2,3-c]pyran-5-yl]acetic acid has a molecular weight of 212.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-7-oxo-4,5-dihydrothieno[2,3-c]pyran-5-yl]acetic acid is sourced from PubChem (CID 164674895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).