4-hydroxy-4H-thiochromene-3-carboxamide

C10H9NO2S — CID 67351252

IUPAC4-hydroxy-4H-thiochromene-3-carboxamide
SMILESNC(=O)C1=CSc2ccccc2C1O
InChIInChI=1S/C10H9NO2S/c11-10(13)7-5-14-8-4-2-1-3-6(8)9(7)12/h1-5,9,12H,(H2,11,13)
InChIKeyUUFLDKJTLIKXCS-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.19
Rot. Bonds1

About 4-hydroxy-4H-thiochromene-3-carboxamide

4-hydroxy-4H-thiochromene-3-carboxamide (PubChem CID 67351252) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-hydroxy-4H-thiochromene-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-4H-thiochromene-3-carboxamide
PubChem CID67351252
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name4-hydroxy-4H-thiochromene-3-carboxamide
SMILESNC(=O)C1=CSc2ccccc2C1O
InChIInChI=1S/C10H9NO2S/c11-10(13)7-5-14-8-4-2-1-3-6(8)9(7)12/h1-5,9,12H,(H2,11,13)
InChIKeyUUFLDKJTLIKXCS-UHFFFAOYSA-N
XLogP1.19
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4H-thiochromene-3-carboxamide?
The IUPAC name of 4-hydroxy-4H-thiochromene-3-carboxamide (CID 67351252) is 4-hydroxy-4H-thiochromene-3-carboxamide.
What is the SMILES notation for 4-hydroxy-4H-thiochromene-3-carboxamide?
The canonical SMILES for 4-hydroxy-4H-thiochromene-3-carboxamide is NC(=O)C1=CSc2ccccc2C1O.
What is the InChIKey of 4-hydroxy-4H-thiochromene-3-carboxamide?
The InChIKey is UUFLDKJTLIKXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c11-10(13)7-5-14-8-4-2-1-3-6(8)9(7)12/h1-5,9,12H,(H2,11,13).
What are the key properties of 4-hydroxy-4H-thiochromene-3-carboxamide?
4-hydroxy-4H-thiochromene-3-carboxamide has a molecular weight of 207.25 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4H-thiochromene-3-carboxamide is sourced from PubChem (CID 67351252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).