5-bromo-3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-thiadiazole

C9H6Br2N2S2 — CID 102618150

IUPAC5-bromo-3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-thiadiazole
SMILESBrc1ccc(SCc2nsc(Br)n2)cc1
InChIInChI=1S/C9H6Br2N2S2/c10-6-1-3-7(4-2-6)14-5-8-12-9(11)15-13-8/h1-4H,5H2
InChIKeyKAJMCEGJQWZCSQ-UHFFFAOYSA-N
MW366.10 g/mol
LogP4.36
Rot. Bonds3

About 5-bromo-3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-thiadiazole

5-bromo-3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-thiadiazole (PubChem CID 102618150) has the molecular formula C9H6Br2N2S2 and a molecular weight of 366.10 g/mol. Its IUPAC name is 5-bromo-3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-thiadiazole
PubChem CID102618150
Molecular FormulaC9H6Br2N2S2
Molecular Weight366.10 g/mol
Exact Mass363.83
IUPAC Name5-bromo-3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-thiadiazole
SMILESBrc1ccc(SCc2nsc(Br)n2)cc1
InChIInChI=1S/C9H6Br2N2S2/c10-6-1-3-7(4-2-6)14-5-8-12-9(11)15-13-8/h1-4H,5H2
InChIKeyKAJMCEGJQWZCSQ-UHFFFAOYSA-N
XLogP4.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.10
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-thiadiazole (CID 102618150) is 5-bromo-3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-thiadiazole is Brc1ccc(SCc2nsc(Br)n2)cc1.
What is the InChIKey of 5-bromo-3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-thiadiazole?
The InChIKey is KAJMCEGJQWZCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2N2S2/c10-6-1-3-7(4-2-6)14-5-8-12-9(11)15-13-8/h1-4H,5H2.
What are the key properties of 5-bromo-3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-thiadiazole?
5-bromo-3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-thiadiazole has a molecular weight of 366.10 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-thiadiazole is sourced from PubChem (CID 102618150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).