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

C9H7BrN2O2S — CID 6539142

IUPAC4-(3-bromophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione
SMILESCn1sc(=O)n(-c2cccc(Br)c2)c1=O
InChIInChI=1S/C9H7BrN2O2S/c1-11-8(13)12(9(14)15-11)7-4-2-3-6(10)5-7/h2-5H,1H3
InChIKeyYMIUQWHOVJWHJW-UHFFFAOYSA-N
MW287.14 g/mol
LogP1.36
Rot. Bonds1

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

4-(3-bromophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 6539142) has the molecular formula C9H7BrN2O2S and a molecular weight of 287.14 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione
PubChem CID6539142
Molecular FormulaC9H7BrN2O2S
Molecular Weight287.14 g/mol
Exact Mass285.94
IUPAC Name4-(3-bromophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione
SMILESCn1sc(=O)n(-c2cccc(Br)c2)c1=O
InChIInChI=1S/C9H7BrN2O2S/c1-11-8(13)12(9(14)15-11)7-4-2-3-6(10)5-7/h2-5H,1H3
InChIKeyYMIUQWHOVJWHJW-UHFFFAOYSA-N
XLogP1.36
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 4-(3-bromophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione (CID 6539142) is 4-(3-bromophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 4-(3-bromophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 4-(3-bromophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione is Cn1sc(=O)n(-c2cccc(Br)c2)c1=O.
What is the InChIKey of 4-(3-bromophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is YMIUQWHOVJWHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2S/c1-11-8(13)12(9(14)15-11)7-4-2-3-6(10)5-7/h2-5H,1H3.
What are the key properties of 4-(3-bromophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione?
4-(3-bromophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 287.14 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 6539142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).