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88217-78-1 | 1,2-Benzisothiazole-3(2H)-thione, 2-[2-(4-chlorophenyl)ethyl]-
CAS No: 88217-78-1 Catalog No: AG004BED MDL No:
Product Description
Catalog Number:
AG004BED
Chemical Name:
1,2-Benzisothiazole-3(2H)-thione, 2-[2-(4-chlorophenyl)ethyl]-
CAS Number:
88217-78-1
Molecular Formula:
C15H12ClNS2
Molecular Weight:
305.8455
IUPAC Name:
2-[2-(4-chlorophenyl)ethyl]-1,2-benzothiazole-3-thione
InChI:
InChI=1S/C15H12ClNS2/c16-12-7-5-11(6-8-12)9-10-17-15(18)13-3-1-2-4-14(13)19-17/h1-8H,9-10H2
InChI Key:
UYDDSESQKFEVAL-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CCn1sc2c(c1=S)cccc2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.01g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.838g/mol
Monoisotopic Mass:
305.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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