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105734-48-3 | Urea,N-(5-methyl-1,2-benzisothiazol-3-yl)-N'-(1-methylethyl)-
CAS No: 105734-48-3 Catalog No: AG007X10 MDL No:
Product Description
Catalog Number:
AG007X10
Chemical Name:
Urea,N-(5-methyl-1,2-benzisothiazol-3-yl)-N'-(1-methylethyl)-
CAS Number:
105734-48-3
Molecular Formula:
C12H15N3OS
Molecular Weight:
249.3320
IUPAC Name:
1-(5-methyl-1,2-benzothiazol-3-yl)-3-propan-2-ylurea
InChI:
InChI=1S/C12H15N3OS/c1-7(2)13-12(16)14-11-9-6-8(3)4-5-10(9)17-15-11/h4-7H,1-3H3,(H2,13,14,15,16)
InChI Key:
RDWHAMDWTIYXTK-UHFFFAOYSA-N
SMILES:
CC(NC(=O)Nc1nsc2c1cc(C)cc2)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.332g/mol
Monoisotopic Mass:
249.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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