4-hydroxy-2,3-dihydrothiochromene-4-carboxamide

C10H11NO2S — CID 62213241

IUPAC4-hydroxy-2,3-dihydrothiochromene-4-carboxamide
SMILESNC(=O)C1(O)CCSc2ccccc21
InChIInChI=1S/C10H11NO2S/c11-9(12)10(13)5-6-14-8-4-2-1-3-7(8)10/h1-4,13H,5-6H2,(H2,11,12)
InChIKeyFMAPLWHMZJRDHT-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.86
Rot. Bonds1

About 4-hydroxy-2,3-dihydrothiochromene-4-carboxamide

4-hydroxy-2,3-dihydrothiochromene-4-carboxamide (PubChem CID 62213241) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-hydroxy-2,3-dihydrothiochromene-4-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2,3-dihydrothiochromene-4-carboxamide
PubChem CID62213241
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name4-hydroxy-2,3-dihydrothiochromene-4-carboxamide
SMILESNC(=O)C1(O)CCSc2ccccc21
InChIInChI=1S/C10H11NO2S/c11-9(12)10(13)5-6-14-8-4-2-1-3-7(8)10/h1-4,13H,5-6H2,(H2,11,12)
InChIKeyFMAPLWHMZJRDHT-UHFFFAOYSA-N
XLogP0.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3-dihydrothiochromene-4-carboxamide?
The IUPAC name of 4-hydroxy-2,3-dihydrothiochromene-4-carboxamide (CID 62213241) is 4-hydroxy-2,3-dihydrothiochromene-4-carboxamide.
What is the SMILES notation for 4-hydroxy-2,3-dihydrothiochromene-4-carboxamide?
The canonical SMILES for 4-hydroxy-2,3-dihydrothiochromene-4-carboxamide is NC(=O)C1(O)CCSc2ccccc21.
What is the InChIKey of 4-hydroxy-2,3-dihydrothiochromene-4-carboxamide?
The InChIKey is FMAPLWHMZJRDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c11-9(12)10(13)5-6-14-8-4-2-1-3-7(8)10/h1-4,13H,5-6H2,(H2,11,12).
What are the key properties of 4-hydroxy-2,3-dihydrothiochromene-4-carboxamide?
4-hydroxy-2,3-dihydrothiochromene-4-carboxamide has a molecular weight of 209.27 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3-dihydrothiochromene-4-carboxamide is sourced from PubChem (CID 62213241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).