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23619-09-2 | 2-Thiazolidinethione, 4-hydroxy-3-(1-methyl-2-phenylethyl)-4-phenyl-
CAS No: 23619-09-2 Catalog No: AG002NWS MDL No:
Product Description
Catalog Number:
AG002NWS
Chemical Name:
2-Thiazolidinethione, 4-hydroxy-3-(1-methyl-2-phenylethyl)-4-phenyl-
CAS Number:
23619-09-2
Molecular Formula:
C18H19NOS2
Molecular Weight:
329.4796
IUPAC Name:
4-hydroxy-4-phenyl-3-(1-phenylpropan-2-yl)-1,3-thiazolidine-2-thione
InChI:
InChI=1S/C18H19NOS2/c1-14(12-15-8-4-2-5-9-15)19-17(21)22-13-18(19,20)16-10-6-3-7-11-16/h2-11,14,20H,12-13H2,1H3
InChI Key:
KGNCBKVGLKGECJ-UHFFFAOYSA-N
SMILES:
S=C1SCC(N1C(Cc1ccccc1)C)(O)c1ccccc1
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.091g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.476g/mol
Monoisotopic Mass:
329.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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