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115144-51-9 | Urea, N-2-benzothiazolyl-N'-(hydroxymethyl)-
CAS No: 115144-51-9 Catalog No: AG000GCB MDL No:
Product Description
Catalog Number:
AG000GCB
Chemical Name:
Urea, N-2-benzothiazolyl-N'-(hydroxymethyl)-
CAS Number:
115144-51-9
Molecular Formula:
C9H9N3O2S
Molecular Weight:
223.2517
IUPAC Name:
1-(1,3-benzothiazol-2-yl)-1-(hydroxymethyl)urea
InChI:
InChI=1S/C9H9N3O2S/c10-8(14)12(5-13)9-11-6-3-1-2-4-7(6)15-9/h1-4,13H,5H2,(H2,10,14)
InChI Key:
DKOBFQSNGRWGQT-UHFFFAOYSA-N
SMILES:
OCNC(=O)Nc1nc2c(s1)cccc2
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:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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