2-Amino-5-bromo-1,3,4-thiadiazole - CAS 37566-39-5

Catalog:	BB023340
Product Name:	2-Amino-5-bromo-1,3,4-thiadiazole
CAS:	37566-39-5
Synonyms:	5-bromo-1,3,4-thiadiazol-2-amine; 5-bromo-1,3,4-thiadiazol-2-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromo-1,3,4-thiadiazol-2-amine
Description:	2-Amino-5-bromo-1,3,4-thiadiazole was used to prepare arylthiadiazole H3 antagonists as Cytochrome P450 inhibitors. It can also be used to synthesize 6-fluoro-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-ones.
Molecular Weight:	180.03
Molecular Formula:	C2H2BrN3S
Canonical SMILES:	C1(=NN=C(S1)Br)N
InChI:	InChI=1S/C2H2BrN3S/c3-1-5-6-2(4)7-1/h(H2,4,6)
InChI Key:	GLYQQFBHCFPEEU-UHFFFAOYSA-N
Boiling Point:	314.1 °C at 760 mmHg
Density:	2.147 g/cm³
Appearance:	Powder or crystals
MDL:	MFCD00464325
LogP:	1.46400

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (97.62%): 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, P322, P330, P337+P313, P363, and P501
Signal Word:	Warning

Complexity:	70
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.91528
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.91528
Rotatable Bond Count:	0
Topological Polar Surface Area:	80 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1