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Home > Imidazoles > 77671-33-1
77671-33-1 | 2H-Imidazol-2-one, 1,3-dihydro-4-methyl-5-(2-thienylcarbonyl)-
CAS No: 77671-33-1 Catalog No: AG005GJS MDL No:
Product Description
Catalog Number:
AG005GJS
Chemical Name:
2H-Imidazol-2-one, 1,3-dihydro-4-methyl-5-(2-thienylcarbonyl)-
CAS Number:
77671-33-1
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
IUPAC Name:
4-methyl-5-(thiophene-2-carbonyl)-1,3-dihydroimidazol-2-one
InChI:
InChI=1S/C9H8N2O2S/c1-5-7(11-9(13)10-5)8(12)6-3-2-4-14-6/h2-4H,1H3,(H2,10,11,13)
InChI Key:
MPJYFWDFBPZWQF-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]c(=O)[nH]c1C)c1cccs1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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