6-Fluoro-2-methylbenzothiazole - CAS 399-73-5

Catalog:	BB024229
Product Name:	6-Fluoro-2-methylbenzothiazole
CAS:	399-73-5
Synonyms:	6-fluoro-2-methyl-1,3-benzothiazole; 6-fluoro-2-methyl-1,3-benzothiazole

Technical Data

Patents

Computed Properties

IUPAC Name:	6-fluoro-2-methyl-1,3-benzothiazole
Description:	6-Fluoro-2-methylbenzothiazole (CAS# 399-73-5) is a useful research chemical.
Molecular Weight:	167.20
Molecular Formula:	C8H6FNS
Canonical SMILES:	CC1=NC2=C(S1)C=C(C=C2)F
InChI:	InChI=1S/C8H6FNS/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3
InChI Key:	HIMUIMWWDJJAJC-UHFFFAOYSA-N
Boiling Point:	243.013 °C at 760 mmHg
Density:	1.319 g/cm³
LogP:	2.74380

Publication Number	Title	Priority Date
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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