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67145-86-2 | 3-(Cyanomethyl)-2,4-dimethyl-1,3-thiazol-3-ium perchlorate
CAS No: 67145-86-2 Catalog No: AG01EWUU MDL No:
Product Description
Catalog Number:
AG01EWUU
Chemical Name:
3-(Cyanomethyl)-2,4-dimethyl-1,3-thiazol-3-ium perchlorate
CAS Number:
67145-86-2
Molecular Formula:
C7H9ClN2O4S
Molecular Weight:
252.6754
IUPAC Name:
2-(2,4-dimethyl-1,3-thiazol-3-ium-3-yl)acetonitrile;perchlorate
InChI:
InChI=1S/C7H9N2S.ClHO4/c1-6-5-10-7(2)9(6)4-3-8;2-1(3,4)5/h5H,4H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
SRZOBBIETTUICB-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.N#CC[n+]1c(C)csc1C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.997g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.669g/mol
Monoisotopic Mass:
251.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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