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122243-43-0 | 1,2-Dithiin, 3,6-dimethyl-
CAS No: 122243-43-0 Catalog No: AG0016Z6 MDL No:
Product Description
Catalog Number:
AG0016Z6
Chemical Name:
1,2-Dithiin, 3,6-dimethyl-
CAS Number:
122243-43-0
Molecular Formula:
C6H8S2
Molecular Weight:
144.2577
IUPAC Name:
3,6-dimethyldithiine
InChI:
InChI=1S/C6H8S2/c1-5-3-4-6(2)8-7-5/h3-4H,1-2H3
InChI Key:
DPZASWMEINHEKF-UHFFFAOYSA-N
SMILES:
CC1=CC=C(SS1)C
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.007g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.25g/mol
Monoisotopic Mass:
144.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis, electrochemistry, and gas-phase photoelectron spectroscopic and theoretical studies of 3,6-bis(perfluoroalkyl)-1,2-dithiins. | The Journal of organic chemistry 20031017 |
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