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89135-96-6 | Urea, N-methyl-N'-[4-(1-methylethyl)phenyl]-N-[1-(methylthio)ethyl]-
CAS No: 89135-96-6 Catalog No: AG003XN9 MDL No:
Product Description
Catalog Number:
AG003XN9
Chemical Name:
Urea, N-methyl-N'-[4-(1-methylethyl)phenyl]-N-[1-(methylthio)ethyl]-
CAS Number:
89135-96-6
Molecular Formula:
C14H22N2OS
Molecular Weight:
266.4023
IUPAC Name:
1-methyl-1-(1-methylsulfanylethyl)-3-(4-propan-2-ylphenyl)urea
InChI:
InChI=1S/C14H22N2OS/c1-10(2)12-6-8-13(9-7-12)15-14(17)16(4)11(3)18-5/h6-11H,1-5H3,(H,15,17)
InChI Key:
IMVNEJVJHVGFSW-UHFFFAOYSA-N
SMILES:
CSC(N(C(=O)Nc1ccc(cc1)C(C)C)C)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.145g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.403g/mol
Monoisotopic Mass:
266.145g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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