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16311-69-6 | Thiazolium, 5-(2-hydroxyethyl)-3,4-dimethyl-, iodide (1:1)
CAS No: 16311-69-6 Catalog No: AG001TSD MDL No:MFCD00011958
Product Description
Catalog Number:
AG001TSD
Chemical Name:
Thiazolium, 5-(2-hydroxyethyl)-3,4-dimethyl-, iodide (1:1)
CAS Number:
16311-69-6
Molecular Formula:
C7H12INOS
Molecular Weight:
285.1458
MDL Number:
MFCD00011958
IUPAC Name:
2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethanol;iodide
InChI:
InChI=1S/C7H12NOS.HI/c1-6-7(3-4-9)10-5-8(6)2;/h5,9H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key:
GDNOYVMHHMSZJV-UHFFFAOYSA-M
SMILES:
Cc1c(CCO)sc[n+]1C.[I-]
EC Number:
240-394-3
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.968g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.143g/mol
Monoisotopic Mass:
284.968g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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