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105734-51-8 | Urea,N-(5-methyl-1,2-benzisothiazol-3-yl)-N'-phenyl-
CAS No: 105734-51-8 Catalog No: AG007X0Z MDL No:
Product Description
Catalog Number:
AG007X0Z
Chemical Name:
Urea,N-(5-methyl-1,2-benzisothiazol-3-yl)-N'-phenyl-
CAS Number:
105734-51-8
Molecular Formula:
C15H13N3OS
Molecular Weight:
283.3482
IUPAC Name:
1-(5-methyl-1,2-benzothiazol-3-yl)-3-phenylurea
InChI:
InChI=1S/C15H13N3OS/c1-10-7-8-13-12(9-10)14(18-20-13)17-15(19)16-11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,17,18,19)
InChI Key:
ZMSPEVZDAPBLLX-UHFFFAOYSA-N
SMILES:
O=C(Nc1nsc2c1cc(C)cc2)Nc1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.078g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.349g/mol
Monoisotopic Mass:
283.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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