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88142-08-9

88142-08-9 | 1,3-Dithiolane, 2-phenyl-2-(phenylmethyl)-

CAS No: 88142-08-9 Catalog No: AG004F1R MDL No:

Product Description

Catalog Number:
AG004F1R
Chemical Name:
1,3-Dithiolane, 2-phenyl-2-(phenylmethyl)-
CAS Number:
88142-08-9
Molecular Formula:
C16H16S2
Molecular Weight:
272.4282
IUPAC Name:
2-benzyl-2-phenyl-1,3-dithiolane
InChI:
InChI=1S/C16H16S2/c1-3-7-14(8-4-1)13-16(17-11-12-18-16)15-9-5-2-6-10-15/h1-10H,11-13H2
InChI Key:
RGDIOAYEACHRMZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CC1(SCCS1)c1ccccc1

Properties

Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.069g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.424g/mol
Monoisotopic Mass:
272.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

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