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Home > Imidazoles > 57648-17-6
57648-17-6 | 1,3-dihydro-1-piperidin-4-yl-2H-benzimidazole-2-thione
CAS No: 57648-17-6 Catalog No: AG00EHA1 MDL No:
Product Description
Catalog Number:
AG00EHA1
Chemical Name:
1,3-dihydro-1-piperidin-4-yl-2H-benzimidazole-2-thione
CAS Number:
57648-17-6
IUPAC Name:
3-piperidin-4-yl-1H-benzimidazole-2-thione
InChI:
InChI=1S/C12H15N3S/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,16)
InChI Key:
ZORYTAATKDXHQN-UHFFFAOYSA-N
EC Number:
260-879-3
Properties
Complexity:
275
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:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.333g/mol
Monoisotopic Mass:
233.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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