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Home > Aldehydes > 920536-39-6
920536-39-6 | 2-Furancarboxaldehyde, 5-[(1-methyl-1H-benzimidazol-2-yl)thio]-
CAS No: 920536-39-6 Catalog No: AG006DHX MDL No:
Product Description
Catalog Number:
AG006DHX
Chemical Name:
2-Furancarboxaldehyde, 5-[(1-methyl-1H-benzimidazol-2-yl)thio]-
CAS Number:
920536-39-6
Molecular Formula:
C13H10N2O2S
Molecular Weight:
258.2957
IUPAC Name:
5-(1-methylbenzimidazol-2-yl)sulfanylfuran-2-carbaldehyde
InChI:
InChI=1S/C13H10N2O2S/c1-15-11-5-3-2-4-10(11)14-13(15)18-12-7-6-9(8-16)17-12/h2-8H,1H3
InChI Key:
WITLQEVAEYYXFU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)Sc1nc2c(n1C)cccc2
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:
0
Isotope Atom Count:
0
Molecular Weight:
258.295g/mol
Monoisotopic Mass:
258.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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