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16212-86-5 | 1,2-Dithiin, 3,6-bis(4-methylphenyl)-
CAS No: 16212-86-5 Catalog No: AG001SSL MDL No:
Product Description
Catalog Number:
AG001SSL
Chemical Name:
1,2-Dithiin, 3,6-bis(4-methylphenyl)-
CAS Number:
16212-86-5
Molecular Formula:
C18H16S2
Molecular Weight:
296.4496
IUPAC Name:
3,6-bis(4-methylphenyl)dithiine
InChI:
InChI=1S/C18H16S2/c1-13-3-7-15(8-4-13)17-11-12-18(20-19-17)16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChI Key:
IDYGMIHYWWHJPF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1=CC=C(SS1)c1ccc(cc1)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.446g/mol
Monoisotopic Mass:
296.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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