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Home > Imidazoles > 931586-46-8
931586-46-8 | 1-(1-adamantyl)-1H-benzimidazole-2-thiol
CAS No: 931586-46-8 Catalog No: AG00JHK2 MDL No:MFCD29710071
Product Description
Catalog Number:
AG00JHK2
Chemical Name:
1-(1-adamantyl)-1H-benzimidazole-2-thiol
CAS Number:
931586-46-8
Molecular Formula:
C17H20N2S
Molecular Weight:
284.4191
MDL Number:
MFCD29710071
IUPAC Name:
3-(1-adamantyl)-1H-benzimidazole-2-thione
InChI:
InChI=1S/C17H20N2S/c20-16-18-14-3-1-2-4-15(14)19(16)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,18,20)
InChI Key:
QDGMXSHRMOWYSY-UHFFFAOYSA-N
SMILES:
Sc1nc2c(n1C13CC4CC(C3)CC(C1)C4)cccc2
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.135g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.421g/mol
Monoisotopic Mass:
284.135g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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