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105734-50-7 | Urea,N-(1,1-dimethylethyl)-N'-(5-methyl-1,2-benzisothiazol-3-yl)-
CAS No: 105734-50-7 Catalog No: AG007FHQ MDL No:
Product Description
Catalog Number:
AG007FHQ
Chemical Name:
Urea,N-(1,1-dimethylethyl)-N'-(5-methyl-1,2-benzisothiazol-3-yl)-
CAS Number:
105734-50-7
Molecular Formula:
C13H17N3OS
Molecular Weight:
263.3586
IUPAC Name:
1-tert-butyl-3-(5-methyl-1,2-benzothiazol-3-yl)urea
InChI:
InChI=1S/C13H17N3OS/c1-8-5-6-10-9(7-8)11(16-18-10)14-12(17)15-13(2,3)4/h5-7H,1-4H3,(H2,14,15,16,17)
InChI Key:
PFXSCPHGYZCHPM-UHFFFAOYSA-N
SMILES:
O=C(NC(C)(C)C)Nc1nsc2c1cc(C)cc2
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.109g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.359g/mol
Monoisotopic Mass:
263.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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