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88217-75-8 | 1,2-Benzisothiazole-3(2H)-thione, 2-[(3,4-dimethylphenyl)methyl]-
CAS No: 88217-75-8 Catalog No: AG004BEE MDL No:
Product Description
Catalog Number:
AG004BEE
Chemical Name:
1,2-Benzisothiazole-3(2H)-thione, 2-[(3,4-dimethylphenyl)methyl]-
CAS Number:
88217-75-8
Molecular Formula:
C16H15NS2
Molecular Weight:
285.4270
IUPAC Name:
2-[(3,4-dimethylphenyl)methyl]-1,2-benzothiazole-3-thione
InChI:
InChI=1S/C16H15NS2/c1-11-7-8-13(9-12(11)2)10-17-16(18)14-5-3-4-6-15(14)19-17/h3-9H,10H2,1-2H3
InChI Key:
JIEKHIIHGXJECZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)Cn1sc2c(c1=S)cccc2
Properties
Complexity:
344
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:
2
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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