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Home > Thiazole > 1095538-90-1
1095538-90-1 | 6-(Methylsulfonyl)-2-piperazin-1-yl-1,3-benzothiazole
CAS No: 1095538-90-1 Catalog No: AG01ARMM MDL No:MFCD11986741
Product Description
Catalog Number:
AG01ARMM
Chemical Name:
6-(Methylsulfonyl)-2-piperazin-1-yl-1,3-benzothiazole
CAS Number:
1095538-90-1
Molecular Formula:
C12H15N3O2S2
Molecular Weight:
297.3964
MDL Number:
MFCD11986741
IUPAC Name:
6-methylsulfonyl-2-piperazin-1-yl-1,3-benzothiazole
InChI:
InChI=1S/C12H15N3O2S2/c1-19(16,17)9-2-3-10-11(8-9)18-12(14-10)15-6-4-13-5-7-15/h2-3,8,13H,4-7H2,1H3
InChI Key:
BZOQFZVYJJDCJF-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1ccc2c(c1)sc(n2)N1CCNCC1
Properties
Complexity:
417
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:
1
Isotope Atom Count:
0
Molecular Weight:
297.391g/mol
Monoisotopic Mass:
297.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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