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Home > Thiazole > 2059941-68-1
2059941-68-1 | 1-[(1,3-thiazol-5-yl)methyl]piperazine trihydrochloride
CAS No: 2059941-68-1 Catalog No: AG01C00S MDL No:MFCD30497760
Product Description
Catalog Number:
AG01C00S
Chemical Name:
1-[(1,3-thiazol-5-yl)methyl]piperazine trihydrochloride
CAS Number:
2059941-68-1
Molecular Formula:
C8H16Cl3N3S
Molecular Weight:
292.6567
MDL Number:
MFCD30497760
IUPAC Name:
5-(piperazin-1-ylmethyl)-1,3-thiazole;trihydrochloride
InChI:
InChI=1S/C8H13N3S.3ClH/c1-3-11(4-2-9-1)6-8-5-10-7-12-8;;;/h5,7,9H,1-4,6H2;3*1H
InChI Key:
YKAWCCRMCLBNRY-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)Cc1scnc1.Cl.Cl.Cl
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.013g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
292.647g/mol
Monoisotopic Mass:
291.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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