4-(4-chlorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione

C9H7ClN2O2S — CID 6539144

IUPAC4-(4-chlorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione
SMILESCn1sc(=O)n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C9H7ClN2O2S/c1-11-8(13)12(9(14)15-11)7-4-2-6(10)3-5-7/h2-5H,1H3
InChIKeyXPFLDDSMNQTKFF-UHFFFAOYSA-N
MW242.69 g/mol
LogP1.25
Rot. Bonds1

About 4-(4-chlorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione

4-(4-chlorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 6539144) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione
PubChem CID6539144
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Name4-(4-chlorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione
SMILESCn1sc(=O)n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C9H7ClN2O2S/c1-11-8(13)12(9(14)15-11)7-4-2-6(10)3-5-7/h2-5H,1H3
InChIKeyXPFLDDSMNQTKFF-UHFFFAOYSA-N
XLogP1.25
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Monuron
CID 8800
Methazole
CID 4690
Monomethylmonuron
CID 79309
Imidoline
CID 23728
1-Pyrrolidinecarboxamide, N-(4-chlorophenyl)-
CID 118853
2,4-Imidazolidinedione, 3-(4-chlorophenyl)-
CID 723871
2-Methyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione
CID 2732733
2-Imidazolidinone, 1-(p-chlorophenyl)-
CID 26451
ST50544519
CID 302981
4-(2-Chloroethyl)-2-phenyl-1,2,4-thiadiazolidine-3,5-dione
CID 25212179
4-(4-Fluorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione
CID 3394376
2-Ethyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione
CID 6539174

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 4-(4-chlorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione (CID 6539144) is 4-(4-chlorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 4-(4-chlorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 4-(4-chlorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione is Cn1sc(=O)n(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 4-(4-chlorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is XPFLDDSMNQTKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c1-11-8(13)12(9(14)15-11)7-4-2-6(10)3-5-7/h2-5H,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione?
4-(4-chlorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 242.69 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 6539144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).