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1208081-54-2 | 3-Methyl-isothiazol-5-ylamine hydrobromide
CAS No: 1208081-54-2 Catalog No: AG01FB69 MDL No:
Product Description
Catalog Number:
AG01FB69
Chemical Name:
3-Methyl-isothiazol-5-ylamine hydrobromide
CAS Number:
1208081-54-2
Molecular Formula:
C4H7BrN2S
Molecular Weight:
195.0808
IUPAC Name:
3-methyl-1,2-thiazol-5-amine;hydrobromide
InChI:
InChI=1S/C4H6N2S.BrH/c1-3-2-4(5)7-6-3;/h2H,5H2,1H3;1H
InChI Key:
KBXGAMBTNVXBKV-UHFFFAOYSA-N
SMILES:
Cc1nsc(c1)N.Br
Properties
Complexity:
66.7
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:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.078g/mol
Monoisotopic Mass:
193.951g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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