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Home > Aldehydes > 797807-53-5
797807-53-5 | 5-(4H-1,2,4-TRIAZOL-3-YLTHIO)-2-FURALDEHYDE
CAS No: 797807-53-5 Catalog No: AG005066 MDL No:MFCD18839918
Product Description
Catalog Number:
AG005066
Chemical Name:
5-(4H-1,2,4-TRIAZOL-3-YLTHIO)-2-FURALDEHYDE
CAS Number:
797807-53-5
Molecular Formula:
C7H5N3O2S
Molecular Weight:
195.1985
MDL Number:
MFCD18839918
IUPAC Name:
5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-carbaldehyde
InChI:
InChI=1S/C7H5N3O2S/c11-3-5-1-2-6(12-5)13-7-8-4-9-10-7/h1-4H,(H,8,9,10)
InChI Key:
MJDCESOFVFBUOJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)Sc1nnc[nH]1
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.01g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.196g/mol
Monoisotopic Mass:
195.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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