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115989-17-8 | 2-tert-Butyl-6-isothiocyanato-5-methylbenzothiazole
CAS No: 115989-17-8 Catalog No: AG009UVC MDL No:
Product Description
Catalog Number:
AG009UVC
Chemical Name:
2-tert-Butyl-6-isothiocyanato-5-methylbenzothiazole
CAS Number:
115989-17-8
IUPAC Name:
2-tert-butyl-6-isothiocyanato-5-methyl-1,3-benzothiazole
InChI:
InChI=1S/C13H14N2S2/c1-8-5-10-11(6-9(8)14-7-16)17-12(15-10)13(2,3)4/h5-6H,1-4H3
InChI Key:
KVOWXFZAWNJIEI-UHFFFAOYSA-N
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.06g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.389g/mol
Monoisotopic Mass:
262.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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