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Home > Imidazoles > 944898-42-4
944898-42-4 | 1-(2-(Methylthio)-1H-imidazol-4-yl)ethanone
CAS No: 944898-42-4 Catalog No: AG00II85 MDL No:MFCD10696756
Product Description
Catalog Number:
AG00II85
Chemical Name:
1-(2-(Methylthio)-1H-imidazol-4-yl)ethanone
CAS Number:
944898-42-4
MDL Number:
MFCD10696756
IUPAC Name:
1-(2-methylsulfanyl-1H-imidazol-5-yl)ethanone
InChI:
InChI=1S/C6H8N2OS/c1-4(9)5-3-7-6(8-5)10-2/h3H,1-2H3,(H,7,8)
InChI Key:
HHMRHBVHRNBGPS-UHFFFAOYSA-N
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.036g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.203g/mol
Monoisotopic Mass:
156.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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