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105734-57-4 | Urea,N,N-dimethyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)-
CAS No: 105734-57-4 Catalog No: AG007X0W MDL No:
Product Description
Catalog Number:
AG007X0W
Chemical Name:
Urea,N,N-dimethyl-N'-(5-methyl-1,2-benzisothiazol-3-yl)-
CAS Number:
105734-57-4
Molecular Formula:
C11H13N3OS
Molecular Weight:
235.3054
IUPAC Name:
1,1-dimethyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea
InChI:
InChI=1S/C11H13N3OS/c1-7-4-5-9-8(6-7)10(13-16-9)12-11(15)14(2)3/h4-6H,1-3H3,(H,12,13,15)
InChI Key:
SWGBUJGFBYMZRM-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(ns2)NC(=O)N(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.305g/mol
Monoisotopic Mass:
235.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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