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104121-44-0 | Urea,N-1,2-benzisothiazol-3-yl-N'-ethyl-
CAS No: 104121-44-0 Catalog No: AG0084WR MDL No:
Product Description
Catalog Number:
AG0084WR
Chemical Name:
Urea,N-1,2-benzisothiazol-3-yl-N'-ethyl-
CAS Number:
104121-44-0
Molecular Formula:
C10H11N3OS
Molecular Weight:
221.2788
IUPAC Name:
1-(1,2-benzothiazol-3-yl)-3-ethylurea
InChI:
InChI=1S/C10H11N3OS/c1-2-11-10(14)12-9-7-5-3-4-6-8(7)15-13-9/h3-6H,2H2,1H3,(H2,11,12,13,14)
InChI Key:
WFURIDUCCHCODD-UHFFFAOYSA-N
SMILES:
CCNC(=O)Nc1nsc2c1cccc2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.278g/mol
Monoisotopic Mass:
221.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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