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105777-85-3 | Urea,N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)-
CAS No: 105777-85-3 Catalog No: AG007WQ8 MDL No:
Product Description
Catalog Number:
AG007WQ8
Chemical Name:
Urea,N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)-
CAS Number:
105777-85-3
Molecular Formula:
C10H11N3OS
Molecular Weight:
221.2788
IUPAC Name:
1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea
InChI:
InChI=1S/C10H11N3OS/c1-6-3-4-8-7(5-6)9(13-15-8)12-10(14)11-2/h3-5H,1-2H3,(H2,11,12,13,14)
InChI Key:
KFYMEKSEMPSBIV-UHFFFAOYSA-N
SMILES:
CNC(=O)Nc1nsc2c1cc(C)cc2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.278g/mol
Monoisotopic Mass:
221.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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