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1210798-51-8 | 3-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)benzene-1-carbothioamide
CAS No: 1210798-51-8 Catalog No: AG019R3F MDL No:MFCD13196333
Product Description
Catalog Number:
AG019R3F
Chemical Name:
3-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)benzene-1-carbothioamide
CAS Number:
1210798-51-8
Molecular Formula:
C11H11N3OS
Molecular Weight:
233.2895
MDL Number:
MFCD13196333
IUPAC Name:
3-(4-methyl-2-oxo-1H-imidazol-3-yl)benzenecarbothioamide
InChI:
InChI=1S/C11H11N3OS/c1-7-6-13-11(15)14(7)9-4-2-3-8(5-9)10(12)16/h2-6H,1H3,(H2,12,16)(H,13,15)
InChI Key:
UJKFVESHUPOYNA-UHFFFAOYSA-N
SMILES:
NC(=S)c1cccc(c1)n1c(C)c[nH]c1=O
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.289g/mol
Monoisotopic Mass:
233.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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