200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 88258-71-3
88258-71-3 | Urea, N-(5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)-N'-phenyl-
CAS No: 88258-71-3 Catalog No: AG004APX MDL No:
Product Description
Catalog Number:
AG004APX
Chemical Name:
Urea, N-(5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)-N'-phenyl-
CAS Number:
88258-71-3
Molecular Formula:
C12H14N2O2S
Molecular Weight:
250.3168
IUPAC Name:
1-(6-methyl-2,3-dihydro-1,4-oxathiin-5-yl)-3-phenylurea
InChI:
InChI=1S/C12H14N2O2S/c1-9-11(17-8-7-16-9)14-12(15)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,13,14,15)
InChI Key:
QAEQPZZJYYFDPL-UHFFFAOYSA-N
SMILES:
O=C(NC1=C(C)OCCS1)Nc1ccccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.316g/mol
Monoisotopic Mass:
250.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.