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143895-21-0 | Urea, N-hydroxy-N-[3-[2-(2-propyn-1-ylthio)phenyl]-2-propen-1-yl]-
CAS No: 143895-21-0 Catalog No: AG001IKP MDL No:
Product Description
Catalog Number:
AG001IKP
Chemical Name:
Urea, N-hydroxy-N-[3-[2-(2-propyn-1-ylthio)phenyl]-2-propen-1-yl]-
CAS Number:
143895-21-0
Molecular Formula:
C13H14N2O2S
Molecular Weight:
262.3275
IUPAC Name:
1-hydroxy-1-[3-(2-prop-2-ynylsulfanylphenyl)prop-2-enyl]urea
InChI:
InChI=1S/C13H14N2O2S/c1-2-10-18-12-8-4-3-6-11(12)7-5-9-15(17)13(14)16/h1,3-8,17H,9-10H2,(H2,14,16)
InChI Key:
PRIPMDVAXXWYJC-UHFFFAOYSA-N
SMILES:
C#CCSc1ccccc1C=CCN(C(=O)N)O
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.327g/mol
Monoisotopic Mass:
262.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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