2-Amino-5-bromo-4-methylthiazole - CAS 3034-57-9

Name: 2-Amino-5-bromo-4-methylthiazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020568
Product Name:	2-Amino-5-bromo-4-methylthiazole
CAS:	3034-57-9
Synonyms:	5-bromo-4-methyl-2-thiazolamine; 5-bromo-4-methyl-1,3-thiazol-2-amine

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-4-methyl-1,3-thiazol-2-amine
Description:	2-Amino-5-bromo-4-methylthiazole (CAS# 3034-57-9) is used in the synthesis of poly(4-(p-alkoxystyryl)thiazole)s for solar cells.
Molecular Weight:	193.06
Molecular Formula:	C4H5BrN2S
Canonical SMILES:	CC1=C(SC(=N1)N)Br
InChI:	InChI=1S/C4H5BrN2S/c1-2-3(5)8-4(6)7-2/h1H3,(H2,6,7)
InChI Key:	XZYIDZIGJVUTKE-UHFFFAOYSA-N
Boiling Point:	298.3 °C at 760 mmHg
Density:	1.806 g/cm³
MDL:	MFCD09260911
LogP:	2.37740

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Related Functional Groups

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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+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2019199874-A1	Morpholine derivates as inhibitors of vps34	20180410
AU-2019251363-A1	Morpholine derivates as inhibitors of Vps34	20180410
EP-3774792-A1	Morpholine derivates as inhibitors of vps34	20180410
KR-20200142549-A	Morpholine derivatives as inhibitors of VPS34	20180410
JP-2021521179-A	Morpholine derivative as an inhibitor of VPS34	20180410

Complexity:	90.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.93568
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.93568
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2