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16877-32-0 | 3-Thietanone, 2,2,4,4-tetraphenyl-
CAS No: 16877-32-0 Catalog No: AG001YAI MDL No:
Product Description
Catalog Number:
AG001YAI
Chemical Name:
3-Thietanone, 2,2,4,4-tetraphenyl-
CAS Number:
16877-32-0
Molecular Formula:
C27H20OS
Molecular Weight:
392.5121
IUPAC Name:
2,2,4,4-tetraphenylthietan-3-one
InChI:
InChI=1S/C27H20OS/c28-25-26(21-13-5-1-6-14-21,22-15-7-2-8-16-22)29-27(25,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChI Key:
XWBWKCFZEUMGLZ-UHFFFAOYSA-N
SMILES:
O=C1C(SC1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.123g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.516g/mol
Monoisotopic Mass:
392.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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