3-Bromo-5-chloro-1,2,4-thiadiazole - CAS 37159-60-7

Catalog:	BB023210
Product Name:	3-Bromo-5-chloro-1,2,4-thiadiazole
CAS:	37159-60-7
Synonyms:	3-bromo-5-chloro-1,2,4-thiadiazole; 3-bromo-5-chloro-1,2,4-thiadiazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromo-5-chloro-1,2,4-thiadiazole
Description:	3-Bromo-5-chloro-1,2,4-thiadiazole (CAS# 37159-60-7) is a useful research chemical.
Molecular Weight:	199.46
Molecular Formula:	C2BrClN2S
Canonical SMILES:	C1(=NSC(=N1)Cl)Br
InChI:	InChI=1S/C2BrClN2S/c3-1-5-2(4)7-6-1
InChI Key:	CXUWGEWQRCXJDC-UHFFFAOYSA-N
Boiling Point:	192-194 °C
Density:	2.133 g/cm³
Appearance:	Clear colorless to yellow liquid
MDL:	MFCD00799287
LogP:	1.95400

Publication Number	Title	Priority Date
WO-2021195066-A2	Kcnt1 inhibitors and methods of use	20200323
WO-2021081207-A1	Glp-1r modulating compounds	20191025
US-2021171499-A1	Glp-1r modulating compounds	20191025
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

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Related Functional Groups

Oxadiazole/Thiadiazole

[938459-06-4]
1-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
[1171337-26-0]
Ethyl 3-(1-(4-chloro-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
[1170042-55-3]
Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
[1170088-37-5]
Ethyl 3-(2-(1H-pyrazol-1-yl)propyl)-1,2,4-oxadiazole-5-carboxylate
[1171327-12-0]
Ethyl 3-(2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[91393-16-7]
Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	72.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.86541
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	197.86541
Rotatable Bond Count:	0
Topological Polar Surface Area:	54 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7