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89019-65-8 | 1,3-Dithiolane-2-thione, 4-[(triphenylmethoxy)methyl]-, (S)-
CAS No: 89019-65-8 Catalog No: AG0044DA MDL No:
Product Description
Catalog Number:
AG0044DA
Chemical Name:
1,3-Dithiolane-2-thione, 4-[(triphenylmethoxy)methyl]-, (S)-
CAS Number:
89019-65-8
Molecular Formula:
C23H20OS3
Molecular Weight:
408.5993
IUPAC Name:
4-(trityloxymethyl)-1,3-dithiolane-2-thione
InChI:
InChI=1S/C23H20OS3/c25-22-26-17-21(27-22)16-24-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2
InChI Key:
FQTBZCMRMCGBFD-UHFFFAOYSA-N
SMILES:
S=C1SC[C@@H](S1)COC(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.068g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.592g/mol
Monoisotopic Mass:
408.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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