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146794-75-4 | 2-(4-METHYLPIPERAZIN-1-YL)-1,3-BENZOTHIAZOL-6-OL
CAS No: 146794-75-4 Catalog No: AG01ARVF MDL No:MFCD11987041
Product Description
Catalog Number:
AG01ARVF
Chemical Name:
2-(4-METHYLPIPERAZIN-1-YL)-1,3-BENZOTHIAZOL-6-OL
CAS Number:
146794-75-4
Molecular Formula:
C12H15N3OS
Molecular Weight:
249.3320
MDL Number:
MFCD11987041
IUPAC Name:
2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-ol
InChI:
InChI=1S/C12H15N3OS/c1-14-4-6-15(7-5-14)12-13-10-3-2-9(16)8-11(10)17-12/h2-3,8,16H,4-7H2,1H3
InChI Key:
UJFKIVLGRQRTJL-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1nc2c(s1)cc(cc2)O
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.332g/mol
Monoisotopic Mass:
249.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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