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Home > Thiazole > 1018498-61-7
1018498-61-7 | 6-Methyl-2-piperazin-1-yl-1,3-benzothiazole
CAS No: 1018498-61-7 Catalog No: AG01ARFD MDL No:MFCD10008524
Product Description
Catalog Number:
AG01ARFD
Chemical Name:
6-Methyl-2-piperazin-1-yl-1,3-benzothiazole
CAS Number:
1018498-61-7
Molecular Formula:
C12H15N3S
Molecular Weight:
233.3326
MDL Number:
MFCD10008524
IUPAC Name:
6-methyl-2-piperazin-1-yl-1,3-benzothiazole
InChI:
InChI=1S/C12H15N3S/c1-9-2-3-10-11(8-9)16-12(14-10)15-6-4-13-5-7-15/h2-3,8,13H,4-7H2,1H3
InChI Key:
IZULRPMDKNPVCZ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)sc(n2)N1CCNCC1
Properties
Complexity:
242
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:
1
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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