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52084-19-2 | 2-(1-Hydroxyethyl)-5-(2-hydroxyethyl)-3,4-dimethyl-1,3-thiazol-3-ium iodide
CAS No: 52084-19-2 Catalog No: AG01EWC2 MDL No:
Product Description
Catalog Number:
AG01EWC2
Chemical Name:
2-(1-Hydroxyethyl)-5-(2-hydroxyethyl)-3,4-dimethyl-1,3-thiazol-3-ium iodide
CAS Number:
52084-19-2
Molecular Formula:
C9H16INO2S
Molecular Weight:
329.1983
IUPAC Name:
1-[5-(2-hydroxyethyl)-3,4-dimethyl-1,3-thiazol-3-ium-2-yl]ethanol;iodide
InChI:
InChI=1S/C9H16NO2S.HI/c1-6-8(4-5-11)13-9(7(2)12)10(6)3;/h7,11-12H,4-5H2,1-3H3;1H/q+1;/p-1
InChI Key:
JCPQHGYWOFNMGP-UHFFFAOYSA-M
SMILES:
OCCc1sc([n+](c1C)C)C(O)C.[I-]
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.995g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.196g/mol
Monoisotopic Mass:
328.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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