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Home > Pyridines > 230309-03-2
230309-03-2 | Methanone, [(4S)-4-phenyl-2-thioxo-3-thiazolidinyl]-3-pyridinyl-
CAS No: 230309-03-2 Catalog No: AG002LY8 MDL No:
Product Description
Catalog Number:
AG002LY8
Chemical Name:
Methanone, [(4S)-4-phenyl-2-thioxo-3-thiazolidinyl]-3-pyridinyl-
CAS Number:
230309-03-2
Molecular Formula:
C15H12N2OS2
Molecular Weight:
300.3986
IUPAC Name:
[(4S)-4-phenyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-pyridin-3-ylmethanone
InChI:
InChI=1S/C15H12N2OS2/c18-14(12-7-4-8-16-9-12)17-13(10-20-15(17)19)11-5-2-1-3-6-11/h1-9,13H,10H2/t13-/m1/s1
InChI Key:
UQSUQIIZHZDEML-CYBMUJFWSA-N
SMILES:
S=C1SC[C@@H](N1C(=O)c1cccnc1)c1ccccc1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
300.039g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.394g/mol
Monoisotopic Mass:
300.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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