2-Bromo-1,3,4-thiadiazole - CAS 61929-24-6

Catalog:	BB031335
Product Name:	2-Bromo-1,3,4-thiadiazole
CAS:	61929-24-6
Synonyms:	2-bromo-1,3,4-thiadiazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-1,3,4-thiadiazole
Description:	2-Bromo-1,3,4-thiadiazole (CAS# 61929-24-6) is a useful research chemical used in the preparation of Menin-MLL inhibitors.
Molecular Weight:	165.01
Molecular Formula:	C2HBrN2S
Canonical SMILES:	C1=NN=C(S1)Br
InChI:	InChI=1S/C2HBrN2S/c3-2-5-4-1-6-2/h1H
InChI Key:	DQBCRVIBTFHJLM-UHFFFAOYSA-N
Boiling Point:	214.311 °C at 760 mmHg
Melting Point:	70-73 °C
Purity:	96 %
Density:	2.024 g/cm³
Appearance:	Solid
MDL:	MFCD04115375
LogP:	1.30060

Publication Number	Title	Priority Date
CN-111995548-A	Preparation method of cyano tertiary amine	20200825
WO-2021145401-A1	Spiroheterocyclic derivatives as crhr2 antagonist	20200115
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

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170802-11-5]
Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[956263-70-0]
Ethyl 3-((4-Iodo-1H-Pyrazol-1-Yl)Methyl)-1,2,4-Oxadiazole-5-Carboxylate
[697245-66-2]
Ethyl 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
[163719-81-1]
Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[76162-56-6]
ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate
[18212-20-9]
Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P302+P352, P321, P330, P332+P313, P362, 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:	0.8