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2905-17-1 | Disulfide, bis(2,6-dimethylphenyl)
CAS No: 2905-17-1 Catalog No: AG002VCB MDL No:
Product Description
Catalog Number:
AG002VCB
Chemical Name:
Disulfide, bis(2,6-dimethylphenyl)
CAS Number:
2905-17-1
Molecular Formula:
C16H18S2
Molecular Weight:
274.4441
IUPAC Name:
2-[(2,6-dimethylphenyl)disulfanyl]-1,3-dimethylbenzene
InChI:
InChI=1S/C16H18S2/c1-11-7-5-8-12(2)15(11)17-18-16-13(3)9-6-10-14(16)4/h5-10H,1-4H3
InChI Key:
LKOHGPFWLCKZQQ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1SSc1c(C)cccc1C)C
EC Number:
220-806-8
UNII:
3Q90MW426W
NSC Number:
175810
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.44g/mol
Monoisotopic Mass:
274.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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