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88217-81-6 | 1,2-Benzisothiazole-3(2H)-thione, 2-(1-phenylethyl)-
CAS No: 88217-81-6 Catalog No: AG008BC9 MDL No:
Product Description
Catalog Number:
AG008BC9
Chemical Name:
1,2-Benzisothiazole-3(2H)-thione, 2-(1-phenylethyl)-
CAS Number:
88217-81-6
Molecular Formula:
C15H13NS2
Molecular Weight:
271.4004
IUPAC Name:
2-(1-phenylethyl)-1,2-benzothiazole-3-thione
InChI:
InChI=1S/C15H13NS2/c1-11(12-7-3-2-4-8-12)16-15(17)13-9-5-6-10-14(13)18-16/h2-11H,1H3
InChI Key:
NYMIPTXQMJCRBO-UHFFFAOYSA-N
SMILES:
CC(n1sc2c(c1=S)cccc2)c1ccccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.049g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.396g/mol
Monoisotopic Mass:
271.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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