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110989-44-1 | Thiazolium, 5-(ethoxycarbonyl)-3,4-dimethyl-, iodide
CAS No: 110989-44-1 Catalog No: AG007TWJ MDL No:
Product Description
Catalog Number:
AG007TWJ
Chemical Name:
Thiazolium, 5-(ethoxycarbonyl)-3,4-dimethyl-, iodide
CAS Number:
110989-44-1
Molecular Formula:
C8H12INO2S
Molecular Weight:
313.1558
IUPAC Name:
ethyl 3,4-dimethyl-1,3-thiazol-3-ium-5-carboxylate;iodide
InChI:
InChI=1S/C8H12NO2S.HI/c1-4-11-8(10)7-6(2)9(3)5-12-7;/h5H,4H2,1-3H3;1H/q+1;/p-1
InChI Key:
IAWJRGOJAYNVOY-UHFFFAOYSA-M
SMILES:
CCOC(=O)c1sc[n+](c1C)C.[I-]
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.963g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.153g/mol
Monoisotopic Mass:
312.963g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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