5-Fluoro-2-methylbenzothiazole - CAS 399-75-7

Catalog:	BB024233
Product Name:	5-Fluoro-2-methylbenzothiazole
CAS:	399-75-7
Synonyms:	5-fluoro-2-methyl-1,3-benzothiazole

Technical Data

Patents

Computed Properties

IUPAC Name:	5-fluoro-2-methyl-1,3-benzothiazole
Description:	5-Fluoro-2-methylbenzothiazole (CAS# 399-75-7) is a useful reactant in the preparation of antileishmanial drug candidates.
Molecular Weight:	167.20
Molecular Formula:	C8H6FNS
Canonical SMILES:	CC1=NC2=C(S1)C=CC(=C2)F
InChI:	InChI=1S/C8H6FNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChI Key:	LDBFGRGBYVULTJ-UHFFFAOYSA-N
Boiling Point:	254.5 °C at 760 mmHg
Purity:	> 95.0 % (GC)
Density:	1.256 g/cm³
MDL:	MFCD00135018
LogP:	2.74380

Publication Number	Title	Priority Date
CN-113045993-A	Polishing solution for processing ultra-smooth low-damage bearing steel surface and application thereof	20210325
CN-111166744-A	Application of 4- (benzothiazole-2-yl) arylamine compound in treating gastric cancer	20181112
WO-2020098516-A1	Use of 4-(benzothiazole-2-yl)arylamine compound in treating stomach cancer	20181112
US-10655015-B2	Tire crumb-based bitumen polymer for producing a lower viscosity asphalt with improved tolerance to high temperatures	20180922
US-2020095424-A1	Tire crumb-based bitumen polymer for producing a lower viscosity asphalt with improved tolerance to high temperatures	20180922

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Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.02049853
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	167.02049853
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9