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84501-63-3 | 1H-Imidazole,2-(methylthio)-, hydrobromide (1:1)
CAS No: 84501-63-3 Catalog No: AG0054QG MDL No:
Product Description
Catalog Number:
AG0054QG
Chemical Name:
1H-Imidazole,2-(methylthio)-, hydrobromide (1:1)
CAS Number:
84501-63-3
Molecular Formula:
C4H7BrN2S
Molecular Weight:
195.0808
IUPAC Name:
2-methylsulfanyl-1H-imidazole;hydrobromide
InChI:
InChI=1S/C4H6N2S.BrH/c1-7-4-5-2-3-6-4;/h2-3H,1H3,(H,5,6);1H
InChI Key:
IDUZEHNIYZGZBV-UHFFFAOYSA-N
SMILES:
CSC1=NC=C[NH2+]1.[Br-]
EC Number:
282-983-8
Properties
Complexity:
57.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.951g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.078g/mol
Monoisotopic Mass:
193.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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