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694-30-4 | Thiazolium, 3,4-dimethyl-
CAS No: 694-30-4 Catalog No: AG005M3Q MDL No:
Product Description
Catalog Number:
AG005M3Q
Chemical Name:
Thiazolium, 3,4-dimethyl-
CAS Number:
694-30-4
Molecular Formula:
C5H8NS+
Molecular Weight:
114.1887
IUPAC Name:
3,4-dimethyl-1,3-thiazol-3-ium
InChI:
InChI=1S/C5H8NS/c1-5-3-7-4-6(5)2/h3-4H,1-2H3/q+1
InChI Key:
RHRPPNDIWVFSRX-UHFFFAOYSA-N
SMILES:
C[n+]1cscc1C
Properties
Complexity:
65.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.038g/mol
Formal Charge:
1
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.186g/mol
Monoisotopic Mass:
114.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Oxidative addition of the imidazolium cation to zerovalent Ni, Pd, and Pt: a combined density functional and experimental study. | Journal of the American Chemical Society 20010829 |
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