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144525-78-0 | 1,3-Dithiane, 2-(4-bromophenyl)-5-(1,1-dimethylethyl)-, 1,1-dioxide
CAS No: 144525-78-0 Catalog No: AG001JPG MDL No:
Product Description
Catalog Number:
AG001JPG
Chemical Name:
1,3-Dithiane, 2-(4-bromophenyl)-5-(1,1-dimethylethyl)-, 1,1-dioxide
CAS Number:
144525-78-0
Molecular Formula:
C14H19BrO2S2
Molecular Weight:
363.3335
IUPAC Name:
2-(4-bromophenyl)-5-tert-butyl-1,3-dithiane 1,1-dioxide
InChI:
InChI=1S/C14H19BrO2S2/c1-14(2,3)11-8-18-13(19(16,17)9-11)10-4-6-12(15)7-5-10/h4-7,11,13H,8-9H2,1-3H3
InChI Key:
IJKRHHHEKXKPNG-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C1SCC(CS1(=O)=O)C(C)(C)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.001g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.328g/mol
Monoisotopic Mass:
362.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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