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77447-00-8 | Thiazolium, 4-(2-ethoxy-2-oxoethyl)-3-methyl-2-(methylthio)-, bromide
CAS No: 77447-00-8 Catalog No: AG005BAC MDL No:
Product Description
Catalog Number:
AG005BAC
Chemical Name:
Thiazolium, 4-(2-ethoxy-2-oxoethyl)-3-methyl-2-(methylthio)-, bromide
CAS Number:
77447-00-8
Molecular Formula:
C9H14BrNO2S2
Molecular Weight:
312.2470
IUPAC Name:
ethyl 2-(3-methyl-2-methylsulfanyl-1,3-thiazol-3-ium-4-yl)acetate;bromide
InChI:
InChI=1S/C9H14NO2S2.BrH/c1-4-12-8(11)5-7-6-14-9(13-3)10(7)2;/h6H,4-5H2,1-3H3;1H/q+1;/p-1
InChI Key:
UKMKPEVMJRZOJS-UHFFFAOYSA-M
SMILES:
CCOC(=O)Cc1csc([n+]1C)SC.[Br-]
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.965g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.24g/mol
Monoisotopic Mass:
310.965g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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