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88217-83-8 | 1,2-Benzisothiazole-3(2H)-thione, 2-(1-methyl-2-phenylethyl)-
CAS No: 88217-83-8 Catalog No: AG004DH7 MDL No:
Product Description
Catalog Number:
AG004DH7
Chemical Name:
1,2-Benzisothiazole-3(2H)-thione, 2-(1-methyl-2-phenylethyl)-
CAS Number:
88217-83-8
Molecular Formula:
C16H15NS2
Molecular Weight:
285.4270
IUPAC Name:
2-(1-phenylpropan-2-yl)-1,2-benzothiazole-3-thione
InChI:
InChI=1S/C16H15NS2/c1-12(11-13-7-3-2-4-8-13)17-16(18)14-9-5-6-10-15(14)19-17/h2-10,12H,11H2,1H3
InChI Key:
WPSQRDOSYTWUON-UHFFFAOYSA-N
SMILES:
CC(n1sc2c(c1=S)cccc2)Cc1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.065g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.423g/mol
Monoisotopic Mass:
285.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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