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Home > Thiazole > 1052551-34-4
1052551-34-4 | 2-[1-(piperazin-1-yl)ethyl]-1,3-benzothiazole dihydrochloride
CAS No: 1052551-34-4 Catalog No: AG019OD3 MDL No:MFCD07678493
Product Description
Catalog Number:
AG019OD3
Chemical Name:
2-[1-(piperazin-1-yl)ethyl]-1,3-benzothiazole dihydrochloride
CAS Number:
1052551-34-4
Molecular Formula:
C13H19Cl2N3S
Molecular Weight:
320.2811
MDL Number:
MFCD07678493
IUPAC Name:
2-(1-piperazin-1-ylethyl)-1,3-benzothiazole;dihydrochloride
InChI:
InChI=1S/C13H17N3S.2ClH/c1-10(16-8-6-14-7-9-16)13-15-11-4-2-3-5-12(11)17-13;;/h2-5,10,14H,6-9H2,1H3;2*1H
InChI Key:
SLGSODXDABBZMR-UHFFFAOYSA-N
SMILES:
CC(c1nc2c(s1)cccc2)N1CCNCC1.Cl.Cl
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
320.276g/mol
Monoisotopic Mass:
319.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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