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Home > Aldehydes > 920536-37-4
920536-37-4 | 2-Furancarboxaldehyde, 5-[(5-methyl-1H-imidazol-2-yl)thio]-
CAS No: 920536-37-4 Catalog No: AG006DHY MDL No:
Product Description
Catalog Number:
AG006DHY
Chemical Name:
2-Furancarboxaldehyde, 5-[(5-methyl-1H-imidazol-2-yl)thio]-
CAS Number:
920536-37-4
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
IUPAC Name:
5-[(5-methyl-1H-imidazol-2-yl)sulfanyl]furan-2-carbaldehyde
InChI:
InChI=1S/C9H8N2O2S/c1-6-4-10-9(11-6)14-8-3-2-7(5-12)13-8/h2-5H,1H3,(H,10,11)
InChI Key:
WFUCARHAXBRQOB-UHFFFAOYSA-N
SMILES:
Cc1cnc([nH]1)Sc1ccc(o1)C=O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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