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104121-60-0 | Urea,N'-(3-methoxy-1,2-benzisothiazol-5-yl)-N,N-dimethyl-
CAS No: 104121-60-0 Catalog No: AG0084WN MDL No:
Product Description
Catalog Number:
AG0084WN
Chemical Name:
Urea,N'-(3-methoxy-1,2-benzisothiazol-5-yl)-N,N-dimethyl-
CAS Number:
104121-60-0
Molecular Formula:
C11H13N3O2S
Molecular Weight:
251.3048
IUPAC Name:
3-(3-methoxy-1,2-benzothiazol-5-yl)-1,1-dimethylurea
InChI:
InChI=1S/C11H13N3O2S/c1-14(2)11(15)12-7-4-5-9-8(6-7)10(16-3)13-17-9/h4-6H,1-3H3,(H,12,15)
InChI Key:
VFNLETIGWQVGQV-UHFFFAOYSA-N
SMILES:
COc1nsc2c1cc(cc2)NC(=O)N(C)C
Properties
Complexity:
288
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:
1.8
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