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318959-00-1 | 3-methyl-7-(2-oxopropyl)-5H,6H-imidazo[2,1-b][1,3]thiazol-7-ium chloride
CAS No: 318959-00-1 Catalog No: AG00IYIK MDL No:MFCD00665201
Product Description
Catalog Number:
AG00IYIK
Chemical Name:
3-methyl-7-(2-oxopropyl)-5H,6H-imidazo[2,1-b][1,3]thiazol-7-ium chloride
CAS Number:
318959-00-1
Molecular Formula:
C9H13ClN2OS
Molecular Weight:
232.7303
MDL Number:
MFCD00665201
IUPAC Name:
1-(3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-7-yl)propan-2-one;chloride
InChI:
InChI=1S/C9H13N2OS.ClH/c1-7-6-13-9-10(5-8(2)12)3-4-11(7)9;/h6H,3-5H2,1-2H3;1H/q+1;/p-1
InChI Key:
HNGZQCDRJQCXAD-UHFFFAOYSA-M
SMILES:
CC(=O)C[N+]1=c2scc(n2CC1)C.[Cl-]
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.044g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.726g/mol
Monoisotopic Mass:
232.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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