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93472-12-9 | Thiazolium, 3-(ethoxycarbonyl)-, chloride
CAS No: 93472-12-9 Catalog No: AG006FHD MDL No:
Product Description
Catalog Number:
AG006FHD
Chemical Name:
Thiazolium, 3-(ethoxycarbonyl)-, chloride
CAS Number:
93472-12-9
Molecular Formula:
C6H8ClNO2S
Molecular Weight:
193.6512
IUPAC Name:
ethyl 1,3-thiazol-3-ium-3-carboxylate;chloride
InChI:
InChI=1S/C6H8NO2S.ClH/c1-2-9-6(8)7-3-4-10-5-7;/h3-5H,2H2,1H3;1H/q+1;/p-1
InChI Key:
NUIVDIDKJPCNEZ-UHFFFAOYSA-M
SMILES:
CCOC(=O)[n+]1cscc1.[Cl-]
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.996g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.645g/mol
Monoisotopic Mass:
192.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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