2-Bromo-4,5-dimethylthiazole - CAS 29947-24-8

Catalog:	BB020391
Product Name:	2-Bromo-4,5-dimethylthiazole
CAS:	29947-24-8
Synonyms:	2-bromo-4,5-dimethylthiazole; 2-bromo-4,5-dimethyl-1,3-thiazole

Technical Data

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Patents

Computed Properties

IUPAC Name:	2-bromo-4,5-dimethyl-1,3-thiazole
Description:	2-Bromo-4,5-dimethylthiazole (CAS# 29947-24-8) is a useful research chemical.
Molecular Weight:	192.08
Molecular Formula:	C5H6BrNS
Canonical SMILES:	CC1=C(SC(=N1)Br)C
InChI:	InChI=1S/C5H6BrNS/c1-3-4(2)8-5(6)7-3/h1-2H3
InChI Key:	SOFNZMRISCENSZ-UHFFFAOYSA-N
Boiling Point:	223.115 °C at 760 mmHg
Density:	1.589 g/cm³
MDL:	MFCD11501629
LogP:	2.52240

Publication Number	Title	Priority Date
CN-111072663-A	8-substituted styrylxanthine derivatives and uses thereof	20191212
CN-111072663-B	8-substituted styrylxanthine derivatives and uses thereof	20191212
WO-2021050688-A1	Compounds and uses thereof	20190910
WO-2020256537-A1	Pharmaceutical composition containing benznidazole and n-(l)-histidinamide of amphotericin b for the treatment of trypanosomiasis	20190619
CN-108912175-A	A kind of metal iridium complex and its organic luminescent device	20180605

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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	88.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.94043
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	190.94043
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8