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460994-84-7 | 2-(4-methanesulfonylpiperazin-1-yl)-1,3-benzothiazole
CAS No: 460994-84-7 Catalog No: AG00IRXL MDL No:MFCD01871660
Product Description
Catalog Number:
AG00IRXL
Chemical Name:
2-(4-methanesulfonylpiperazin-1-yl)-1,3-benzothiazole
CAS Number:
460994-84-7
Molecular Formula:
C12H15N3O2S2
Molecular Weight:
297.3964
MDL Number:
MFCD01871660
IUPAC Name:
2-(4-methylsulfonylpiperazin-1-yl)-1,3-benzothiazole
InChI:
InChI=1S/C12H15N3O2S2/c1-19(16,17)15-8-6-14(7-9-15)12-13-10-4-2-3-5-11(10)18-12/h2-5H,6-9H2,1H3
InChI Key:
YSSKILJIEICGRQ-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)N1CCN(CC1)c1nc2c(s1)cccc2
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.061g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.391g/mol
Monoisotopic Mass:
297.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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