3-(4-bromophenyl)sulfanyl-4-chloro-1,2,5-thiadiazole

C8H4BrClN2S2 — CID 43808342

IUPAC3-(4-bromophenyl)sulfanyl-4-chloro-1,2,5-thiadiazole
SMILESClc1nsnc1Sc1ccc(Br)cc1
InChIInChI=1S/C8H4BrClN2S2/c9-5-1-3-6(4-2-5)13-8-7(10)11-14-12-8/h1-4H
InChIKeyWKUZGOSKNJHMOU-UHFFFAOYSA-N
MW307.63 g/mol
LogP4.11
Rot. Bonds2

About 3-(4-bromophenyl)sulfanyl-4-chloro-1,2,5-thiadiazole

3-(4-bromophenyl)sulfanyl-4-chloro-1,2,5-thiadiazole (PubChem CID 43808342) has the molecular formula C8H4BrClN2S2 and a molecular weight of 307.63 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfanyl-4-chloro-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfanyl-4-chloro-1,2,5-thiadiazole
PubChem CID43808342
Molecular FormulaC8H4BrClN2S2
Molecular Weight307.63 g/mol
Exact Mass305.87
IUPAC Name3-(4-bromophenyl)sulfanyl-4-chloro-1,2,5-thiadiazole
SMILESClc1nsnc1Sc1ccc(Br)cc1
InChIInChI=1S/C8H4BrClN2S2/c9-5-1-3-6(4-2-5)13-8-7(10)11-14-12-8/h1-4H
InChIKeyWKUZGOSKNJHMOU-UHFFFAOYSA-N
XLogP4.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.63
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromophenyl)sulfanyl-4-chloro-1,2,5-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfanyl-4-chloro-1,2,5-thiadiazole?
The IUPAC name of 3-(4-bromophenyl)sulfanyl-4-chloro-1,2,5-thiadiazole (CID 43808342) is 3-(4-bromophenyl)sulfanyl-4-chloro-1,2,5-thiadiazole.
What is the SMILES notation for 3-(4-bromophenyl)sulfanyl-4-chloro-1,2,5-thiadiazole?
The canonical SMILES for 3-(4-bromophenyl)sulfanyl-4-chloro-1,2,5-thiadiazole is Clc1nsnc1Sc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)sulfanyl-4-chloro-1,2,5-thiadiazole?
The InChIKey is WKUZGOSKNJHMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2S2/c9-5-1-3-6(4-2-5)13-8-7(10)11-14-12-8/h1-4H.
What are the key properties of 3-(4-bromophenyl)sulfanyl-4-chloro-1,2,5-thiadiazole?
3-(4-bromophenyl)sulfanyl-4-chloro-1,2,5-thiadiazole has a molecular weight of 307.63 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfanyl-4-chloro-1,2,5-thiadiazole is sourced from PubChem (CID 43808342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).