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Home > Imidazoles > 1864063-06-8
1864063-06-8 | 2-(AZETIDIN-3-YLSULFANYL)-1-METHYL-1H-IMIDAZOLE HYDROCHLORIDE
CAS No: 1864063-06-8 Catalog No: AG01AT7E MDL No:MFCD26793070
Product Description
Catalog Number:
AG01AT7E
Chemical Name:
2-(AZETIDIN-3-YLSULFANYL)-1-METHYL-1H-IMIDAZOLE HYDROCHLORIDE
CAS Number:
1864063-06-8
Molecular Formula:
C7H12ClN3S
Molecular Weight:
205.7083
MDL Number:
MFCD26793070
IUPAC Name:
2-(azetidin-3-ylsulfanyl)-1-methylimidazole;hydrochloride
InChI:
InChI=1S/C7H11N3S.ClH/c1-10-3-2-9-7(10)11-6-4-8-5-6;/h2-3,6,8H,4-5H2,1H3;1H
InChI Key:
HYIXWXMGUHDDIN-UHFFFAOYSA-N
SMILES:
Cn1ccnc1SC1CNC1.Cl
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.044g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.704g/mol
Monoisotopic Mass:
205.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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