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99056-23-2 | (6-ethoxy-1,3-benzothiazol-2-yl)urea
CAS No: 99056-23-2 Catalog No: AG019X89 MDL No:MFCD09805788
Product Description
Catalog Number:
AG019X89
Chemical Name:
(6-ethoxy-1,3-benzothiazol-2-yl)urea
CAS Number:
99056-23-2
Molecular Formula:
C10H11N3O2S
Molecular Weight:
237.2782
MDL Number:
MFCD09805788
IUPAC Name:
(6-ethoxy-1,3-benzothiazol-2-yl)urea
InChI:
InChI=1S/C10H11N3O2S/c1-2-15-6-3-4-7-8(5-6)16-10(12-7)13-9(11)14/h3-5H,2H2,1H3,(H3,11,12,13,14)
InChI Key:
IFDKYGFRLNFSIX-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)sc(n2)NC(=O)N
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.277g/mol
Monoisotopic Mass:
237.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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