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114569-85-6 | Thiazolium, 3-dodecyl-, chloride (1:1)
CAS No: 114569-85-6 Catalog No: AG000EQQ MDL No:
Product Description
Catalog Number:
AG000EQQ
Chemical Name:
Thiazolium, 3-dodecyl-, chloride (1:1)
CAS Number:
114569-85-6
Molecular Formula:
C15H28ClNS
Molecular Weight:
289.9075
IUPAC Name:
3-dodecyl-1,3-thiazol-3-ium;chloride
InChI:
InChI=1S/C15H28NS.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16;/h13-15H,2-12H2,1H3;1H/q+1;/p-1
InChI Key:
XBOOGRHIFKJIIU-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCC[n+]1ccsc1.[Cl-]
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.906g/mol
Monoisotopic Mass:
289.163g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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