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68901-16-6 | Urea,N-[[(1-methyl-1H-imidazol-2-yl)thio]methyl]-N'-phenyl-
CAS No: 68901-16-6 Catalog No: AG0060R6 MDL No:
Product Description
Catalog Number:
AG0060R6
Chemical Name:
Urea,N-[[(1-methyl-1H-imidazol-2-yl)thio]methyl]-N'-phenyl-
CAS Number:
68901-16-6
Molecular Formula:
C12H14N4OS
Molecular Weight:
262.3308
IUPAC Name:
1-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-phenylurea
InChI:
InChI=1S/C12H14N4OS/c1-16-8-7-13-12(16)18-9-14-11(17)15-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,14,15,17)
InChI Key:
QXCZFWVPQNGGCS-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)NCSc1nccn1C
EC Number:
272-658-9
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.331g/mol
Monoisotopic Mass:
262.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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