2-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one

C10H10ClNO3S — CID 82090027

IUPAC2-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCc1ccc(Cl)cc1N1C(=O)CCS1(=O)=O
InChIInChI=1S/C10H10ClNO3S/c1-7-2-3-8(11)6-9(7)12-10(13)4-5-16(12,14)15/h2-3,6H,4-5H2,1H3
InChIKeyAGDYZBVIFHNAOL-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.71
Rot. Bonds1

About 2-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one

2-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 82090027) has the molecular formula C10H10ClNO3S and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID82090027
Molecular FormulaC10H10ClNO3S
Molecular Weight259.71 g/mol
Exact Mass259.01
IUPAC Name2-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCc1ccc(Cl)cc1N1C(=O)CCS1(=O)=O
InChIInChI=1S/C10H10ClNO3S/c1-7-2-3-8(11)6-9(7)12-10(13)4-5-16(12,14)15/h2-3,6H,4-5H2,1H3
InChIKeyAGDYZBVIFHNAOL-UHFFFAOYSA-N
XLogP1.71
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one (CID 82090027) is 2-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one is Cc1ccc(Cl)cc1N1C(=O)CCS1(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is AGDYZBVIFHNAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3S/c1-7-2-3-8(11)6-9(7)12-10(13)4-5-16(12,14)15/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
2-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 259.71 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 82090027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).