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20333-41-9 | Disulfide, bis(3-methylphenyl)
CAS No: 20333-41-9 Catalog No: AG0028U4 MDL No:
Product Description
Catalog Number:
AG0028U4
Chemical Name:
Disulfide, bis(3-methylphenyl)
CAS Number:
20333-41-9
Molecular Formula:
C14H14S2
Molecular Weight:
246.3910
IUPAC Name:
1-methyl-3-[(3-methylphenyl)disulfanyl]benzene
InChI:
InChI=1S/C14H14S2/c1-11-5-3-7-13(9-11)15-16-14-8-4-6-12(2)10-14/h3-10H,1-2H3
InChI Key:
VDWYKAMPKIFOIO-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)SSc1cccc(c1)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.054g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.386g/mol
Monoisotopic Mass:
246.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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