5-Bromo-1,2,4-thiadiazole - CAS 43201-13-4

Catalog:	BB025363
Product Name:	5-Bromo-1,2,4-thiadiazole
CAS:	43201-13-4
Synonyms:	5-bromo-1,2,4-thiadiazole; 5-bromo-1,2,4-thiadiazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromo-1,2,4-thiadiazole
Description:	5-Bromo-1,2,4-thiadiazole (CAS# 43201-13-4) is a useful research chemical.
Molecular Weight:	165.01
Molecular Formula:	C2HBrN2S
Canonical SMILES:	C1=NSC(=N1)Br
InChI:	InChI=1S/C2HBrN2S/c3-2-4-1-5-6-2/h1H
InChI Key:	UBUUGFLYVXDUPG-UHFFFAOYSA-N
Boiling Point:	214.3 °C at 760 mmHg
Density:	2.023 g/cm³
LogP:	1.30060

Publication Number	Title	Priority Date
US-2021130365-A1	2-azaspiro[3.4]octane derivatives as m4 agonists	20191009
US-2021107889-A1	2-azaspiro[3.4]octane derivatives as m4 agonists	20191009
WO-2021070090-A1	2-azaspiro[3.4]octane derivatives as m4 agonists	20191009
WO-2021070091-A1	5-oxa-2-azaspiro[3.4]octane derivatives as m4 agonists	20191009
WO-2021026047-A1	Heteroaryl pyrrolidine and piperidine orexin receptor agonists	20190808

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Related Functional Groups

Oxadiazole/Thiadiazole

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	50.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.90438
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	163.90438
Rotatable Bond Count:	0
Topological Polar Surface Area:	54 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8