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67229-93-0 | Benzothiazole, 2-(4-isocyanatophenyl)-6-methyl-
CAS No: 67229-93-0 Catalog No: AG006JQ4 MDL No:
Product Description
Catalog Number:
AG006JQ4
Chemical Name:
Benzothiazole, 2-(4-isocyanatophenyl)-6-methyl-
CAS Number:
67229-93-0
Molecular Formula:
C15H10N2OS
Molecular Weight:
266.3177
IUPAC Name:
2-(4-isocyanatophenyl)-6-methyl-1,3-benzothiazole
InChI:
InChI=1S/C15H10N2OS/c1-10-2-7-13-14(8-10)19-15(17-13)11-3-5-12(6-4-11)16-9-18/h2-8H,1H3
InChI Key:
DKMGYFQSCKPSEQ-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.318g/mol
Monoisotopic Mass:
266.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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