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232263-03-5 | 2-(piperazin-1-ylmethyl)-1,3-benzothiazole
CAS No: 232263-03-5 Catalog No: AG019JYB MDL No:MFCD05664952
Product Description
Catalog Number:
AG019JYB
Chemical Name:
2-(piperazin-1-ylmethyl)-1,3-benzothiazole
CAS Number:
232263-03-5
Molecular Formula:
C12H15N3S
Molecular Weight:
233.3326
MDL Number:
MFCD05664952
IUPAC Name:
2-(piperazin-1-ylmethyl)-1,3-benzothiazole
InChI:
InChI=1S/C12H15N3S/c1-2-4-11-10(3-1)14-12(16-11)9-15-7-5-13-6-8-15/h1-4,13H,5-9H2
InChI Key:
DMMLNYGSUHAMCP-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)Cc1nc2c(s1)cccc2
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.099g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.333g/mol
Monoisotopic Mass:
233.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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