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88841-63-8 | 1,2-Benzisothiazole, 2,3-dihydro-2-(4-methylphenyl)-
CAS No: 88841-63-8 Catalog No: AG008ASK MDL No:
Product Description
Catalog Number:
AG008ASK
Chemical Name:
1,2-Benzisothiazole, 2,3-dihydro-2-(4-methylphenyl)-
CAS Number:
88841-63-8
Molecular Formula:
C14H13NS
Molecular Weight:
227.3247
IUPAC Name:
2-(4-methylphenyl)-3H-1,2-benzothiazole
InChI:
InChI=1S/C14H13NS/c1-11-6-8-13(9-7-11)15-10-12-4-2-3-5-14(12)16-15/h2-9H,10H2,1H3
InChI Key:
LTXCYSSLXRDHDB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N1Cc2c(S1)cccc2
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.325g/mol
Monoisotopic Mass:
227.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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