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113925-43-2 | Thiazolium, 2-(iodomethyl)-3,4-dimethyl-, iodide (1:1)
CAS No: 113925-43-2 Catalog No: AG000A34 MDL No:
Product Description
Catalog Number:
AG000A34
Chemical Name:
Thiazolium, 2-(iodomethyl)-3,4-dimethyl-, iodide (1:1)
CAS Number:
113925-43-2
Molecular Formula:
C6H9I2NS
Molecular Weight:
381.0163
IUPAC Name:
2-(iodomethyl)-3,4-dimethyl-1,3-thiazol-3-ium;iodide
InChI:
InChI=1S/C6H9INS.HI/c1-5-4-9-6(3-7)8(5)2;/h4H,3H2,1-2H3;1H/q+1;/p-1
InChI Key:
BPOGPJVJUALRSK-UHFFFAOYSA-M
SMILES:
C[n+]1c(CI)scc1C.[I-]
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.855g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.014g/mol
Monoisotopic Mass:
380.855g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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