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86781-27-3 | Urea, N,N-dibutyl-N'-[3-(methylthio)phenyl]-
CAS No: 86781-27-3 Catalog No: AG004JI7 MDL No:
Product Description
Catalog Number:
AG004JI7
Chemical Name:
Urea, N,N-dibutyl-N'-[3-(methylthio)phenyl]-
CAS Number:
86781-27-3
Molecular Formula:
C16H26N2OS
Molecular Weight:
294.4554
IUPAC Name:
1,1-dibutyl-3-(3-methylsulfanylphenyl)urea
InChI:
InChI=1S/C16H26N2OS/c1-4-6-11-18(12-7-5-2)16(19)17-14-9-8-10-15(13-14)20-3/h8-10,13H,4-7,11-12H2,1-3H3,(H,17,19)
InChI Key:
MFMCRJKCTRKJJW-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)Nc1cccc(c1)SC)CCCC
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.177g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.457g/mol
Monoisotopic Mass:
294.177g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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