4-amino-2,3-dihydrothiochromene-4-carboxylic acid

C10H11NO2S — CID 24691236

IUPAC4-amino-2,3-dihydrothiochromene-4-carboxylic acid
SMILESNC1(C(=O)O)CCSc2ccccc21
InChIInChI=1S/C10H11NO2S/c11-10(9(12)13)5-6-14-8-4-2-1-3-7(8)10/h1-4H,5-6,11H2,(H,12,13)
InChIKeyUIMIEZQZDHXAKD-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.42
Rot. Bonds1

About 4-amino-2,3-dihydrothiochromene-4-carboxylic acid

4-amino-2,3-dihydrothiochromene-4-carboxylic acid (PubChem CID 24691236) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-amino-2,3-dihydrothiochromene-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-2,3-dihydrothiochromene-4-carboxylic acid
PubChem CID24691236
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name4-amino-2,3-dihydrothiochromene-4-carboxylic acid
SMILESNC1(C(=O)O)CCSc2ccccc21
InChIInChI=1S/C10H11NO2S/c11-10(9(12)13)5-6-14-8-4-2-1-3-7(8)10/h1-4H,5-6,11H2,(H,12,13)
InChIKeyUIMIEZQZDHXAKD-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,3-dihydrothiochromene-4-carboxylic acid?
The IUPAC name of 4-amino-2,3-dihydrothiochromene-4-carboxylic acid (CID 24691236) is 4-amino-2,3-dihydrothiochromene-4-carboxylic acid.
What is the SMILES notation for 4-amino-2,3-dihydrothiochromene-4-carboxylic acid?
The canonical SMILES for 4-amino-2,3-dihydrothiochromene-4-carboxylic acid is NC1(C(=O)O)CCSc2ccccc21.
What is the InChIKey of 4-amino-2,3-dihydrothiochromene-4-carboxylic acid?
The InChIKey is UIMIEZQZDHXAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c11-10(9(12)13)5-6-14-8-4-2-1-3-7(8)10/h1-4H,5-6,11H2,(H,12,13).
What are the key properties of 4-amino-2,3-dihydrothiochromene-4-carboxylic acid?
4-amino-2,3-dihydrothiochromene-4-carboxylic acid has a molecular weight of 209.27 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3-dihydrothiochromene-4-carboxylic acid is sourced from PubChem (CID 24691236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).