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131611-02-4 | Thiazolium, 3-hexadecyl-4-methyl-, bromide (1:1)
CAS No: 131611-02-4 Catalog No: AG000ZI5 MDL No:
Product Description
Catalog Number:
AG000ZI5
Chemical Name:
Thiazolium, 3-hexadecyl-4-methyl-, bromide (1:1)
CAS Number:
131611-02-4
Molecular Formula:
C20H38BrNS
Molecular Weight:
404.4914
IUPAC Name:
3-hexadecyl-4-methyl-1,3-thiazol-3-ium;bromide
InChI:
InChI=1S/C20H38NS.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-19-22-18-20(21)2;/h18-19H,3-17H2,1-2H3;1H/q+1;/p-1
InChI Key:
YAYUKRSPHCIIGH-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCC[n+]1cscc1C.[Br-]
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.191g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.495g/mol
Monoisotopic Mass:
403.191g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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