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Home > Thiazole > 1105194-72-6
1105194-72-6 | 6-(Methylthio)-2-piperazin-1-yl-1,3-benzothiazole
CAS No: 1105194-72-6 Catalog No: AG01ARML MDL No:MFCD11986740
Product Description
Catalog Number:
AG01ARML
Chemical Name:
6-(Methylthio)-2-piperazin-1-yl-1,3-benzothiazole
CAS Number:
1105194-72-6
Molecular Formula:
C12H15N3S2
Molecular Weight:
265.3976
MDL Number:
MFCD11986740
IUPAC Name:
6-methylsulfanyl-2-piperazin-1-yl-1,3-benzothiazole
InChI:
InChI=1S/C12H15N3S2/c1-16-9-2-3-10-11(8-9)17-12(14-10)15-6-4-13-5-7-15/h2-3,8,13H,4-7H2,1H3
InChI Key:
OGSHYVSPUPVNEO-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(c1)sc(n2)N1CCNCC1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.393g/mol
Monoisotopic Mass:
265.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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