4-chloro-2H-thiochromene-3-carboxamide

C10H8ClNOS — CID 174631200

IUPAC4-chloro-2H-thiochromene-3-carboxamide
SMILESNC(=O)C1=C(Cl)c2ccccc2SC1
InChIInChI=1S/C10H8ClNOS/c11-9-6-3-1-2-4-8(6)14-5-7(9)10(12)13/h1-4H,5H2,(H2,12,13)
InChIKeyPZDQGYFVZDORAE-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.23
Rot. Bonds1

About 4-chloro-2H-thiochromene-3-carboxamide

4-chloro-2H-thiochromene-3-carboxamide (PubChem CID 174631200) has the molecular formula C10H8ClNOS and a molecular weight of 225.70 g/mol. Its IUPAC name is 4-chloro-2H-thiochromene-3-carboxamide.

Molecular Properties

Compound Name4-chloro-2H-thiochromene-3-carboxamide
PubChem CID174631200
Molecular FormulaC10H8ClNOS
Molecular Weight225.70 g/mol
Exact Mass225.00
IUPAC Name4-chloro-2H-thiochromene-3-carboxamide
SMILESNC(=O)C1=C(Cl)c2ccccc2SC1
InChIInChI=1S/C10H8ClNOS/c11-9-6-3-1-2-4-8(6)14-5-7(9)10(12)13/h1-4H,5H2,(H2,12,13)
InChIKeyPZDQGYFVZDORAE-UHFFFAOYSA-N
XLogP2.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2H-thiochromene-3-carboxamide?
The IUPAC name of 4-chloro-2H-thiochromene-3-carboxamide (CID 174631200) is 4-chloro-2H-thiochromene-3-carboxamide.
What is the SMILES notation for 4-chloro-2H-thiochromene-3-carboxamide?
The canonical SMILES for 4-chloro-2H-thiochromene-3-carboxamide is NC(=O)C1=C(Cl)c2ccccc2SC1.
What is the InChIKey of 4-chloro-2H-thiochromene-3-carboxamide?
The InChIKey is PZDQGYFVZDORAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNOS/c11-9-6-3-1-2-4-8(6)14-5-7(9)10(12)13/h1-4H,5H2,(H2,12,13).
What are the key properties of 4-chloro-2H-thiochromene-3-carboxamide?
4-chloro-2H-thiochromene-3-carboxamide has a molecular weight of 225.70 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2H-thiochromene-3-carboxamide is sourced from PubChem (CID 174631200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).