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773823-13-5 | 1H-Imidazole-4-ethanethioamide,1-methyl-(9CI)
CAS No: 773823-13-5 Catalog No: AG00GDFU MDL No:
Product Description
Catalog Number:
AG00GDFU
Chemical Name:
1H-Imidazole-4-ethanethioamide,1-methyl-(9CI)
CAS Number:
773823-13-5
IUPAC Name:
2-(1-methylimidazol-4-yl)ethanethioamide
InChI:
InChI=1S/C6H9N3S/c1-9-3-5(8-4-9)2-6(7)10/h3-4H,2H2,1H3,(H2,7,10)
InChI Key:
IAPJRLQZKFTVEH-UHFFFAOYSA-N
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.052g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.219g/mol
Monoisotopic Mass:
155.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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