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5028-81-9 | Acetamide,N-[3-(2-hydroxy-2-phenylethyl)-2-thiazolidinylidene]-
CAS No: 5028-81-9 Catalog No: AG006V5V MDL No:
Product Description
Catalog Number:
AG006V5V
Chemical Name:
Acetamide,N-[3-(2-hydroxy-2-phenylethyl)-2-thiazolidinylidene]-
CAS Number:
5028-81-9
Molecular Formula:
C13H16N2O2S
Molecular Weight:
264.3433
IUPAC Name:
N-[3-(2-hydroxy-2-phenylethyl)-1,3-thiazolidin-2-ylidene]acetamide
InChI:
InChI=1S/C13H16N2O2S/c1-10(16)14-13-15(7-8-18-13)9-12(17)11-5-3-2-4-6-11/h2-6,12,17H,7-9H2,1H3
InChI Key:
DPCPMQDXCUSGFW-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1)CN1CCSC1=NC(=O)C
EC Number:
225-719-9
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.343g/mol
Monoisotopic Mass:
264.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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