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Home > Pyridines > 100383-48-0
100383-48-0 | Urea, N-(6-ethoxy-1,2-dihydro-2-thioxo-3-pyridinyl)-
CAS No: 100383-48-0 Catalog No: AG0001TW MDL No:
Product Description
Catalog Number:
AG0001TW
Chemical Name:
Urea, N-(6-ethoxy-1,2-dihydro-2-thioxo-3-pyridinyl)-
CAS Number:
100383-48-0
Molecular Formula:
C8H11N3O2S
Molecular Weight:
213.2568
IUPAC Name:
(6-ethoxy-2-sulfanylidene-1H-pyridin-3-yl)urea
InChI:
InChI=1S/C8H11N3O2S/c1-2-13-6-4-3-5(7(14)11-6)10-8(9)12/h3-4H,2H2,1H3,(H,11,14)(H3,9,10,12)
InChI Key:
RHCNTFYUCULHON-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(=S)[nH]1)NC(=O)N
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
213.255g/mol
Monoisotopic Mass:
213.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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