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

C8H4BrClN2S2 — CID 64622250

IUPAC2-bromo-5-(4-chlorophenyl)sulfanyl-1,3,4-thiadiazole
SMILESClc1ccc(Sc2nnc(Br)s2)cc1
InChIInChI=1S/C8H4BrClN2S2/c9-7-11-12-8(14-7)13-6-3-1-5(10)2-4-6/h1-4H
InChIKeyWURLPFRTQWGQLE-UHFFFAOYSA-N
MW307.63 g/mol
LogP4.11
Rot. Bonds2

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

2-bromo-5-(4-chlorophenyl)sulfanyl-1,3,4-thiadiazole (PubChem CID 64622250) has the molecular formula C8H4BrClN2S2 and a molecular weight of 307.63 g/mol. Its IUPAC name is 2-bromo-5-(4-chlorophenyl)sulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(4-chlorophenyl)sulfanyl-1,3,4-thiadiazole
PubChem CID64622250
Molecular FormulaC8H4BrClN2S2
Molecular Weight307.63 g/mol
Exact Mass305.87
IUPAC Name2-bromo-5-(4-chlorophenyl)sulfanyl-1,3,4-thiadiazole
SMILESClc1ccc(Sc2nnc(Br)s2)cc1
InChIInChI=1S/C8H4BrClN2S2/c9-7-11-12-8(14-7)13-6-3-1-5(10)2-4-6/h1-4H
InChIKeyWURLPFRTQWGQLE-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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-chlorophenyl)sulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(4-chlorophenyl)sulfanyl-1,3,4-thiadiazole (CID 64622250) is 2-bromo-5-(4-chlorophenyl)sulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(4-chlorophenyl)sulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(4-chlorophenyl)sulfanyl-1,3,4-thiadiazole is Clc1ccc(Sc2nnc(Br)s2)cc1.
What is the InChIKey of 2-bromo-5-(4-chlorophenyl)sulfanyl-1,3,4-thiadiazole?
The InChIKey is WURLPFRTQWGQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2S2/c9-7-11-12-8(14-7)13-6-3-1-5(10)2-4-6/h1-4H.
What are the key properties of 2-bromo-5-(4-chlorophenyl)sulfanyl-1,3,4-thiadiazole?
2-bromo-5-(4-chlorophenyl)sulfanyl-1,3,4-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 2-bromo-5-(4-chlorophenyl)sulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 64622250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).