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13242-99-4 | Benzothiazole, 6-isothiocyanato-2-methyl- (9CI)
CAS No: 13242-99-4 Catalog No: AG00A3T0 MDL No:
Product Description
Catalog Number:
AG00A3T0
Chemical Name:
Benzothiazole, 6-isothiocyanato-2-methyl- (9CI)
CAS Number:
13242-99-4
IUPAC Name:
6-isothiocyanato-2-methyl-1,3-benzothiazole
InChI:
InChI=1S/C9H6N2S2/c1-6-11-8-3-2-7(10-5-12)4-9(8)13-6/h2-4H,1H3
InChI Key:
SCOUDZBDBWMRTJ-UHFFFAOYSA-N
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.997g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.281g/mol
Monoisotopic Mass:
205.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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