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104121-43-9 | Urea,N-1,2-benzisothiazol-3-yl-N'-methyl-
CAS No: 104121-43-9 Catalog No: AG007WJA MDL No:
Product Description
Catalog Number:
AG007WJA
Chemical Name:
Urea,N-1,2-benzisothiazol-3-yl-N'-methyl-
CAS Number:
104121-43-9
Molecular Formula:
C9H9N3OS
Molecular Weight:
207.2523
IUPAC Name:
1-(1,2-benzothiazol-3-yl)-3-methylurea
InChI:
InChI=1S/C9H9N3OS/c1-10-9(13)11-8-6-4-2-3-5-7(6)14-12-8/h2-5H,1H3,(H2,10,11,12,13)
InChI Key:
QZEBMNAQITVYEK-UHFFFAOYSA-N
SMILES:
CNC(=O)Nc1nsc2c1cccc2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.251g/mol
Monoisotopic Mass:
207.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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