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6339-54-4 | 5-mercapto-1-methyl-4-nitroimidazole
CAS No: 6339-54-4 Catalog No: AG00F3IZ MDL No:
Product Description
Catalog Number:
AG00F3IZ
Chemical Name:
5-mercapto-1-methyl-4-nitroimidazole
CAS Number:
6339-54-4
IUPAC Name:
3-methyl-5-nitroimidazole-4-thiol
InChI:
InChI=1S/C4H5N3O2S/c1-6-2-5-3(4(6)10)7(8)9/h2,10H,1H3
InChI Key:
DPGGDVPPQMXEOF-UHFFFAOYSA-N
UNII:
I6P7H2GT7J
NSC Number:
38074
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.01g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.163g/mol
Monoisotopic Mass:
159.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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