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88258-79-1 | Urea, N,N'-bis(5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)-
CAS No: 88258-79-1 Catalog No: AG004ABN MDL No:
Product Description
Catalog Number:
AG004ABN
Chemical Name:
Urea, N,N'-bis(5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)-
CAS Number:
88258-79-1
Molecular Formula:
C11H16N2O3S2
Molecular Weight:
288.3863
IUPAC Name:
1,3-bis(6-methyl-2,3-dihydro-1,4-oxathiin-5-yl)urea
InChI:
InChI=1S/C11H16N2O3S2/c1-7-9(17-5-3-15-7)12-11(14)13-10-8(2)16-4-6-18-10/h3-6H2,1-2H3,(H2,12,13,14)
InChI Key:
BSXRYOXPFDKHAA-UHFFFAOYSA-N
SMILES:
O=C(NC1=C(C)OCCS1)NC1=C(C)OCCS1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.06g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.38g/mol
Monoisotopic Mass:
288.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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