Benzothiazole, 2-(1-piperazinyl)-


Chemical Name: Benzothiazole, 2-(1-piperazinyl)-
CAS Number: 55745-83-0
Product Number: AG00D8D7(AGN-PC-0JTFPO)
Synonyms:
MDL No: MFCD01417996
Molecular Formula: C11H13N3S
Molecular Weight: 219.3060

Identification/Properties


Computed Properties
Molecular Weight:
219.306g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
219.083g/mol
Monoisotopic Mass:
219.083g/mol
Topological Polar Surface Area:
56.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
218
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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