200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 842957-71-5
842957-71-5 | 2-Furancarboxaldehyde, 5-[(5-methyl-1H-benzimidazol-2-yl)thio]-
CAS No: 842957-71-5 Catalog No: AG004XZ2 MDL No:MFCD02629618
Product Description
Catalog Number:
AG004XZ2
Chemical Name:
2-Furancarboxaldehyde, 5-[(5-methyl-1H-benzimidazol-2-yl)thio]-
CAS Number:
842957-71-5
Molecular Formula:
C13H10N2O2S
Molecular Weight:
258.2957
MDL Number:
MFCD02629618
IUPAC Name:
5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]furan-2-carbaldehyde
InChI:
InChI=1S/C13H10N2O2S/c1-8-2-4-10-11(6-8)15-13(14-10)18-12-5-3-9(7-16)17-12/h2-7H,1H3,(H,14,15)
InChI Key:
SMYSLMXDOBVUIC-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)Sc1nc2c([nH]1)ccc(c2)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.295g/mol
Monoisotopic Mass:
258.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.