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Home > Aldehydes > 728035-62-9
728035-62-9 | 5-((4,5-Dimethyl-4H-1,2,4-triazol-3-yl);thio);furan-2-carbaldehyde
CAS No: 728035-62-9 Catalog No: AG005P0O MDL No:MFCD06017219
Product Description
Catalog Number:
AG005P0O
Chemical Name:
5-((4,5-Dimethyl-4H-1,2,4-triazol-3-yl);thio);furan-2-carbaldehyde
CAS Number:
728035-62-9
Molecular Formula:
C9H9N3O2S
Molecular Weight:
223.2517
MDL Number:
MFCD06017219
IUPAC Name:
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-carbaldehyde
InChI:
InChI=1S/C9H9N3O2S/c1-6-10-11-9(12(6)2)15-8-4-3-7(5-13)14-8/h3-5H,1-2H3
InChI Key:
USERAWVDTYYSEC-UHFFFAOYSA-N
SMILES:
Cn1c(Sc2ccc(o2)C=O)nnc1C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.25g/mol
Monoisotopic Mass:
223.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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