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88217-77-0 | 1,2-Benzisothiazole-3(2H)-thione, 2-[2-(4-methylphenyl)ethyl]-
CAS No: 88217-77-0 Catalog No: AG004DH8 MDL No:
Product Description
Catalog Number:
AG004DH8
Chemical Name:
1,2-Benzisothiazole-3(2H)-thione, 2-[2-(4-methylphenyl)ethyl]-
CAS Number:
88217-77-0
Molecular Formula:
C16H15NS2
Molecular Weight:
285.4270
IUPAC Name:
2-[2-(4-methylphenyl)ethyl]-1,2-benzothiazole-3-thione
InChI:
InChI=1S/C16H15NS2/c1-12-6-8-13(9-7-12)10-11-17-16(18)14-4-2-3-5-15(14)19-17/h2-9H,10-11H2,1H3
InChI Key:
NAHANBFULOUQOK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)CCn1sc2c(c1=S)cccc2
Properties
Complexity:
323
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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