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88258-74-6 | Urea, N-(5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)-N'-(4-methylphenyl)-
CAS No: 88258-74-6 Catalog No: AG004ABO MDL No:
Product Description
Catalog Number:
AG004ABO
Chemical Name:
Urea, N-(5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)-N'-(4-methylphenyl)-
CAS Number:
88258-74-6
Molecular Formula:
C13H16N2O2S
Molecular Weight:
264.3433
IUPAC Name:
1-(6-methyl-2,3-dihydro-1,4-oxathiin-5-yl)-3-(4-methylphenyl)urea
InChI:
InChI=1S/C13H16N2O2S/c1-9-3-5-11(6-4-9)14-13(16)15-12-10(2)17-7-8-18-12/h3-6H,7-8H2,1-2H3,(H2,14,15,16)
InChI Key:
HMIVATQOMIKCMF-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)C)NC1=C(C)OCCS1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.343g/mol
Monoisotopic Mass:
264.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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