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Home > Imidazoles > 89645-60-3
89645-60-3 | Propanoyl azide, 3-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]-
CAS No: 89645-60-3 Catalog No: AG003VKF MDL No:
Product Description
Catalog Number:
AG003VKF
Chemical Name:
Propanoyl azide, 3-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]-
CAS Number:
89645-60-3
Molecular Formula:
C8H11N5OS
Molecular Weight:
225.2708
IUPAC Name:
3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propanoyl azide
InChI:
InChI=1S/C8H11N5OS/c1-6-7(11-5-10-6)4-15-3-2-8(14)12-13-9/h5H,2-4H2,1H3,(H,10,11)
InChI Key:
NPJWHPCYFORDAI-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC(=O)CCSCc1nc[nH]c1C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.27g/mol
Monoisotopic Mass:
225.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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