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105734-58-5 | Urea,N-methoxy-N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)-
CAS No: 105734-58-5 Catalog No: AG0085BZ MDL No:
Product Description
Catalog Number:
AG0085BZ
Chemical Name:
Urea,N-methoxy-N-methyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)-
CAS Number:
105734-58-5
Molecular Formula:
C11H13N3O2S
Molecular Weight:
251.3048
IUPAC Name:
1-methoxy-1-methyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea
InChI:
InChI=1S/C11H13N3O2S/c1-7-4-5-9-8(6-7)10(13-17-9)12-11(15)14(2)16-3/h4-6H,1-3H3,(H,12,13,15)
InChI Key:
PDZVDTQOBWAGLD-UHFFFAOYSA-N
SMILES:
CON(C(=O)Nc1nsc2c1cc(C)cc2)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.304g/mol
Monoisotopic Mass:
251.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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