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827022-58-2 | Acetamide, N-[2-[(4,5-dihydro-2-phenyl-4-thiazolyl)thio]ethyl]-
CAS No: 827022-58-2 Catalog No: AG004WGB MDL No:
Product Description
Catalog Number:
AG004WGB
Chemical Name:
Acetamide, N-[2-[(4,5-dihydro-2-phenyl-4-thiazolyl)thio]ethyl]-
CAS Number:
827022-58-2
Molecular Formula:
C13H16N2OS2
Molecular Weight:
280.4089
IUPAC Name:
N-[2-[(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)sulfanyl]ethyl]acetamide
InChI:
InChI=1S/C13H16N2OS2/c1-10(16)14-7-8-17-12-9-18-13(15-12)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,14,16)
InChI Key:
YVNFVGKWUWCMMX-UHFFFAOYSA-N
SMILES:
CC(=O)NCCSC1CSC(=N1)c1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.404g/mol
Monoisotopic Mass:
280.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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