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104121-64-4 | Urea,N-(3-methoxy-1,2-benzisothiazol-7-yl)-N'-methyl-
CAS No: 104121-64-4 Catalog No: AG0084WM MDL No:
Product Description
Catalog Number:
AG0084WM
Chemical Name:
Urea,N-(3-methoxy-1,2-benzisothiazol-7-yl)-N'-methyl-
CAS Number:
104121-64-4
Molecular Formula:
C10H11N3O2S
Molecular Weight:
237.2782
IUPAC Name:
1-(3-methoxy-1,2-benzothiazol-7-yl)-3-methylurea
InChI:
InChI=1S/C10H11N3O2S/c1-11-10(14)12-7-5-3-4-6-8(7)16-13-9(6)15-2/h3-5H,1-2H3,(H2,11,12,14)
InChI Key:
DGLNOBMVWDJNRM-UHFFFAOYSA-N
SMILES:
CNC(=O)Nc1cccc2c1snc2OC
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.277g/mol
Monoisotopic Mass:
237.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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