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88217-88-3 | 1,2-Benzisothiazole-3(2H)-thione, 2-[2-(1-pyrrolidinyl)ethyl]-
CAS No: 88217-88-3 Catalog No: AG004DH5 MDL No:
Product Description
Catalog Number:
AG004DH5
Chemical Name:
1,2-Benzisothiazole-3(2H)-thione, 2-[2-(1-pyrrolidinyl)ethyl]-
CAS Number:
88217-88-3
Molecular Formula:
C13H16N2S2
Molecular Weight:
264.4095
IUPAC Name:
2-(2-pyrrolidin-1-ylethyl)-1,2-benzothiazole-3-thione
InChI:
InChI=1S/C13H16N2S2/c16-13-11-5-1-2-6-12(11)17-15(13)10-9-14-7-3-4-8-14/h1-2,5-6H,3-4,7-10H2
InChI Key:
CAYQCIYMVZRHII-UHFFFAOYSA-N
SMILES:
S=c1n(CCN2CCCC2)sc2c1cccc2
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.405g/mol
Monoisotopic Mass:
264.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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