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

C8H4Br2N2S2 — CID 64625139

IUPAC2-bromo-5-(4-bromophenyl)sulfanyl-1,3,4-thiadiazole
SMILESBrc1ccc(Sc2nnc(Br)s2)cc1
InChIInChI=1S/C8H4Br2N2S2/c9-5-1-3-6(4-2-5)13-8-12-11-7(10)14-8/h1-4H
InChIKeyPEXVQZZBVSBWFP-UHFFFAOYSA-N
MW352.08 g/mol
LogP4.21
Rot. Bonds2

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

2-bromo-5-(4-bromophenyl)sulfanyl-1,3,4-thiadiazole (PubChem CID 64625139) has the molecular formula C8H4Br2N2S2 and a molecular weight of 352.08 g/mol. Its IUPAC name is 2-bromo-5-(4-bromophenyl)sulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(4-bromophenyl)sulfanyl-1,3,4-thiadiazole
PubChem CID64625139
Molecular FormulaC8H4Br2N2S2
Molecular Weight352.08 g/mol
Exact Mass349.82
IUPAC Name2-bromo-5-(4-bromophenyl)sulfanyl-1,3,4-thiadiazole
SMILESBrc1ccc(Sc2nnc(Br)s2)cc1
InChIInChI=1S/C8H4Br2N2S2/c9-5-1-3-6(4-2-5)13-8-12-11-7(10)14-8/h1-4H
InChIKeyPEXVQZZBVSBWFP-UHFFFAOYSA-N
XLogP4.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.08
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-bromo-5-(4-bromophenyl)sulfanyl-1,3,4-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 2-bromo-5-(4-bromophenyl)sulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(4-bromophenyl)sulfanyl-1,3,4-thiadiazole (CID 64625139) is 2-bromo-5-(4-bromophenyl)sulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(4-bromophenyl)sulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(4-bromophenyl)sulfanyl-1,3,4-thiadiazole is Brc1ccc(Sc2nnc(Br)s2)cc1.
What is the InChIKey of 2-bromo-5-(4-bromophenyl)sulfanyl-1,3,4-thiadiazole?
The InChIKey is PEXVQZZBVSBWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2N2S2/c9-5-1-3-6(4-2-5)13-8-12-11-7(10)14-8/h1-4H.
What are the key properties of 2-bromo-5-(4-bromophenyl)sulfanyl-1,3,4-thiadiazole?
2-bromo-5-(4-bromophenyl)sulfanyl-1,3,4-thiadiazole has a molecular weight of 352.08 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-bromophenyl)sulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 64625139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).