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139021-94-6 | 1,3-Dithiane, 2-(4-chlorophenyl)-2-phenyl-
CAS No: 139021-94-6 Catalog No: AG001A1P MDL No:
Product Description
Catalog Number:
AG001A1P
Chemical Name:
1,3-Dithiane, 2-(4-chlorophenyl)-2-phenyl-
CAS Number:
139021-94-6
Molecular Formula:
C16H15ClS2
Molecular Weight:
306.8733
IUPAC Name:
2-(4-chlorophenyl)-2-phenyl-1,3-dithiane
InChI:
InChI=1S/C16H15ClS2/c17-15-9-7-14(8-10-15)16(18-11-4-12-19-16)13-5-2-1-3-6-13/h1-3,5-10H,4,11-12H2
InChI Key:
KRYIDDRXAVIOEH-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1(SCCCS1)c1ccccc1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.03g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.866g/mol
Monoisotopic Mass:
306.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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