200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 42517-52-2
42517-52-2 | 1H-Benzimidazole,5-isothiocyanato-2-methyl-(9CI)
CAS No: 42517-52-2 Catalog No: AG00CWIF MDL No:
Product Description
Catalog Number:
AG00CWIF
Chemical Name:
1H-Benzimidazole,5-isothiocyanato-2-methyl-(9CI)
CAS Number:
42517-52-2
IUPAC Name:
6-isothiocyanato-2-methyl-1H-benzimidazole
InChI:
InChI=1S/C9H7N3S/c1-6-11-8-3-2-7(10-5-13)4-9(8)12-6/h2-4H,1H3,(H,11,12)
InChI Key:
CHABNCFUSQQFHS-UHFFFAOYSA-N
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.236g/mol
Monoisotopic Mass:
189.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.