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89593-91-9 | Benzene, 1,1'-[(4-chlorobutylidene)bis(thio)]bis-
CAS No: 89593-91-9 Catalog No: AG003XJU MDL No:
Product Description
Catalog Number:
AG003XJU
Chemical Name:
Benzene, 1,1'-[(4-chlorobutylidene)bis(thio)]bis-
CAS Number:
89593-91-9
Molecular Formula:
C16H17ClS2
Molecular Weight:
308.8892
IUPAC Name:
(4-chloro-1-phenylsulfanylbutyl)sulfanylbenzene
InChI:
InChI=1S/C16H17ClS2/c17-13-7-12-16(18-14-8-3-1-4-9-14)19-15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2
InChI Key:
DBVKIAKZCHDGEN-UHFFFAOYSA-N
SMILES:
ClCCCC(Sc1ccccc1)Sc1ccccc1
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.882g/mol
Monoisotopic Mass:
308.046g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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