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Home > Imidazoles > 111989-51-6
111989-51-6 | 1H-Imidazole, 4-[[(2-azidoethyl)thio]methyl]-5-methyl-
CAS No: 111989-51-6 Catalog No: AG0083QP MDL No:
Product Description
Catalog Number:
AG0083QP
Chemical Name:
1H-Imidazole, 4-[[(2-azidoethyl)thio]methyl]-5-methyl-
CAS Number:
111989-51-6
Molecular Formula:
C7H11N5S
Molecular Weight:
197.2607
IUPAC Name:
4-(2-azidoethylsulfanylmethyl)-5-methyl-1H-imidazole
InChI:
InChI=1S/C7H11N5S/c1-6-7(10-5-9-6)4-13-3-2-11-12-8/h5H,2-4H2,1H3,(H,9,10)
InChI Key:
CUCPMOOGBNZWLC-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCCSCc1nc[nH]c1C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.26g/mol
Monoisotopic Mass:
197.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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