200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 87577-99-9
87577-99-9 | 1H-Benzimidazole, 2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]-
CAS No: 87577-99-9 Catalog No: AG008EST MDL No:
Product Description
Catalog Number:
AG008EST
Chemical Name:
1H-Benzimidazole, 2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]-
CAS Number:
87577-99-9
Molecular Formula:
C12H12N4S
Molecular Weight:
244.3155
IUPAC Name:
2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]-1H-benzimidazole
InChI:
InChI=1S/C12H12N4S/c1-8-11(14-7-13-8)6-17-12-15-9-4-2-3-5-10(9)16-12/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)
InChI Key:
MQXHKYXJUWZXDM-UHFFFAOYSA-N
SMILES:
Cc1[nH]cnc1CSc1nc2c([nH]1)cccc2
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.316g/mol
Monoisotopic Mass:
244.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.