2,5-Dibromo-4-methylthiazole - CAS 79247-78-2

Catalog:	BB036316
Product Name:	2,5-Dibromo-4-methylthiazole
CAS:	79247-78-2
Synonyms:	2,5-dibromo-4-methylthiazole; 2,5-dibromo-4-methyl-1,3-thiazole

Technical Data

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Computed Properties

IUPAC Name:	2,5-dibromo-4-methyl-1,3-thiazole
Description:	2,5-Dibromo-4-methylthiazole (CAS# 79247-78-2) is a useful research chemical.
Molecular Weight:	256.95
Molecular Formula:	C4H3Br2NS
Canonical SMILES:	CC1=C(SC(=N1)Br)Br
InChI:	InChI=1S/C4H3Br2NS/c1-2-3(5)8-4(6)7-2/h1H3
InChI Key:	PVJMZIKWTNQXKO-UHFFFAOYSA-N
Boiling Point:	260.735 °C at 760 mmHg
Density:	2.127 g/cm³
MDL:	MFCD09260910
LogP:	2.97650

Publication Number	Title	Priority Date
KR-20210081549-A	Benzoxazole derivatives and fluorescent material comprising the same	20191224
WO-2019165073-A1	Shp2 phosphatase inhibitors and methods of use thereof	20180221
US-2020392161-A1	Shp2 phosphatase inhibitors and methods of use thereof	20180221
EP-3755699-A1	Shp2 phosphatase inhibitors and methods of use thereof	20180221
CA-2572685-A1	Substituted 1-propiolylpiperazines compounds	20040705

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Related Functional Groups

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GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P305+P351+P338, P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	90.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	256.83325
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	254.83530
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4