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89296-11-7 | Benzene, 1,1'-[oxybis(methylenethio)]bis[3,4-dimethyl-
CAS No: 89296-11-7 Catalog No: AG0040WN MDL No:
Product Description
Catalog Number:
AG0040WN
Chemical Name:
Benzene, 1,1'-[oxybis(methylenethio)]bis[3,4-dimethyl-
CAS Number:
89296-11-7
Molecular Formula:
C18H22OS2
Molecular Weight:
318.4967
IUPAC Name:
4-[(3,4-dimethylphenyl)sulfanylmethoxymethylsulfanyl]-1,2-dimethylbenzene
InChI:
InChI=1S/C18H22OS2/c1-13-5-7-17(9-15(13)3)20-11-19-12-21-18-8-6-14(2)16(4)10-18/h5-10H,11-12H2,1-4H3
InChI Key:
KAGILQFTMAZGAT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)SCOCSc1ccc(c(c1)C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.493g/mol
Monoisotopic Mass:
318.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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