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Home > Imidazoles > 1615-38-9
1615-38-9 | 1H-Imidazole-1-ethanol, 2-(methylthio)-5-nitro-
CAS No: 1615-38-9 Catalog No: AG007FHZ MDL No:
Product Description
Catalog Number:
AG007FHZ
Chemical Name:
1H-Imidazole-1-ethanol, 2-(methylthio)-5-nitro-
CAS Number:
1615-38-9
Molecular Formula:
C6H9N3O3S
Molecular Weight:
203.2190
IUPAC Name:
2-(2-methylsulfanyl-5-nitroimidazol-1-yl)ethanol
InChI:
InChI=1S/C6H9N3O3S/c1-13-6-7-4-5(9(11)12)8(6)2-3-10/h4,10H,2-3H2,1H3
InChI Key:
XZYKGNJPQNBKLC-UHFFFAOYSA-N
SMILES:
OCCn1c(SC)ncc1[N+](=O)[O-]
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.216g/mol
Monoisotopic Mass:
203.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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