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104121-55-3 | Urea,N-(3-methoxy-1,2-benzisothiazol-5-yl)-
CAS No: 104121-55-3 Catalog No: AG0084WO MDL No:
Product Description
Catalog Number:
AG0084WO
Chemical Name:
Urea,N-(3-methoxy-1,2-benzisothiazol-5-yl)-
CAS Number:
104121-55-3
Molecular Formula:
C9H9N3O2S
Molecular Weight:
223.2517
IUPAC Name:
(3-methoxy-1,2-benzothiazol-5-yl)urea
InChI:
InChI=1S/C9H9N3O2S/c1-14-8-6-4-5(11-9(10)13)2-3-7(6)15-12-8/h2-4H,1H3,(H3,10,11,13)
InChI Key:
JWFXYRQFXYFUHB-UHFFFAOYSA-N
SMILES:
COc1nsc2c1cc(NC(=O)N)cc2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.25g/mol
Monoisotopic Mass:
223.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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