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18282-76-3 | Benzene, 1,1'-[1,4-butanediylbis(thiomethylene)]bis-
CAS No: 18282-76-3 Catalog No: AG002467 MDL No:
Product Description
Catalog Number:
AG002467
Chemical Name:
Benzene, 1,1'-[1,4-butanediylbis(thiomethylene)]bis-
CAS Number:
18282-76-3
Molecular Formula:
C18H22S2
Molecular Weight:
302.4973
IUPAC Name:
4-benzylsulfanylbutylsulfanylmethylbenzene
InChI:
InChI=1S/C18H22S2/c1-3-9-17(10-4-1)15-19-13-7-8-14-20-16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2
InChI Key:
RVRWBOXTJYWVEC-UHFFFAOYSA-N
SMILES:
C(CSCc1ccccc1)CCSCc1ccccc1
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.494g/mol
Monoisotopic Mass:
302.116g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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