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5350-11-8 | 1-(morpholin-4-ylmethyl)-3H-benzoimidazole-2-thione
CAS No: 5350-11-8 Catalog No: AG00E0S1 MDL No:
Product Description
Catalog Number:
AG00E0S1
Chemical Name:
1-(morpholin-4-ylmethyl)-3H-benzoimidazole-2-thione
CAS Number:
5350-11-8
IUPAC Name:
3-(morpholin-4-ylmethyl)-1H-benzimidazole-2-thione
InChI:
InChI=1S/C12H15N3OS/c17-12-13-10-3-1-2-4-11(10)15(12)9-14-5-7-16-8-6-14/h1-4H,5-9H2,(H,13,17)
InChI Key:
PBKJTNMQGNCQEY-UHFFFAOYSA-N
NSC Number:
34655
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.332g/mol
Monoisotopic Mass:
249.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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