5-(2-bromophenyl)-3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole

C16H10Br2N6S2 — CID 164609024

IUPAC5-(2-bromophenyl)-3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole
SMILESBrc1ccccc1-c1nc(SSc2n[nH]c(-c3ccccc3Br)n2)n[nH]1
InChIInChI=1S/C16H10Br2N6S2/c17-11-7-3-1-5-9(11)13-19-15(23-21-13)25-26-16-20-14(22-24-16)10-6-2-4-8-12(10)18/h1-8H,(H,19,21,23)(H,20,22,24)
InChIKeyKSGXBWCWQZKFTG-UHFFFAOYSA-N
MW510.24 g/mol
LogP5.58
Rot. Bonds5

About 5-(2-bromophenyl)-3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole

5-(2-bromophenyl)-3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole (PubChem CID 164609024) has the molecular formula C16H10Br2N6S2 and a molecular weight of 510.24 g/mol. Its IUPAC name is 5-(2-bromophenyl)-3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-bromophenyl)-3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole
PubChem CID164609024
Molecular FormulaC16H10Br2N6S2
Molecular Weight510.24 g/mol
Exact Mass507.88
IUPAC Name5-(2-bromophenyl)-3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole
SMILESBrc1ccccc1-c1nc(SSc2n[nH]c(-c3ccccc3Br)n2)n[nH]1
InChIInChI=1S/C16H10Br2N6S2/c17-11-7-3-1-5-9(11)13-19-15(23-21-13)25-26-16-20-14(22-24-16)10-6-2-4-8-12(10)18/h1-8H,(H,19,21,23)(H,20,22,24)
InChIKeyKSGXBWCWQZKFTG-UHFFFAOYSA-N
XLogP5.58
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.24
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze 5-(2-bromophenyl)-3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole 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 5-(2-bromophenyl)-3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole?
The IUPAC name of 5-(2-bromophenyl)-3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole (CID 164609024) is 5-(2-bromophenyl)-3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-bromophenyl)-3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-bromophenyl)-3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole is Brc1ccccc1-c1nc(SSc2n[nH]c(-c3ccccc3Br)n2)n[nH]1.
What is the InChIKey of 5-(2-bromophenyl)-3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole?
The InChIKey is KSGXBWCWQZKFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2N6S2/c17-11-7-3-1-5-9(11)13-19-15(23-21-13)25-26-16-20-14(22-24-16)10-6-2-4-8-12(10)18/h1-8H,(H,19,21,23)(H,20,22,24).
What are the key properties of 5-(2-bromophenyl)-3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole?
5-(2-bromophenyl)-3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole has a molecular weight of 510.24 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-3-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]disulfanyl]-1H-1,2,4-triazole is sourced from PubChem (CID 164609024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).