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6963-64-0 | 1H-Imidazole-5-thiol,4-nitro-
CAS No: 6963-64-0 Catalog No: AG0069JR MDL No:
Product Description
Catalog Number:
AG0069JR
Chemical Name:
1H-Imidazole-5-thiol,4-nitro-
CAS Number:
6963-64-0
Molecular Formula:
C3H4N3O2S-
Molecular Weight:
146.1478
IUPAC Name:
5-nitro-1H-imidazole-4-thiol
InChI:
InChI=1S/C3H3N3O2S/c7-6(8)2-3(9)5-1-4-2/h1,9H,(H,4,5)
InChI Key:
VXCSKHCSXFSTLW-UHFFFAOYSA-N
SMILES:
[O-]N(c1nc[nH]c1S)O
NSC Number:
54256
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.995g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
145.136g/mol
Monoisotopic Mass:
144.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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