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Home > Other Building Blocks > 74962-29-1
74962-29-1 | 4,5-Ethylenedithio-1,3-dithiol-2-one , 98%
CAS No: 74962-29-1 Catalog No: AG003KIP MDL No:MFCD00137883
Product Description
Catalog Number:
AG003KIP
Chemical Name:
4,5-Ethylenedithio-1,3-dithiol-2-one , 98%
CAS Number:
74962-29-1
MDL Number:
MFCD00137883
IUPAC Name:
5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-one
InChI:
InChI=1S/C5H4OS4/c6-5-9-3-4(10-5)8-2-1-7-3/h1-2H2
InChI Key:
NMNDMYIFMUGDMA-UHFFFAOYSA-N
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.914g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.326g/mol
Monoisotopic Mass:
207.914g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Ab initio determination of geometries and vibrational characteristics of building blocks of organic superconductors: 4,5-Ethylenedithio-1,3-dithiole-2-thione, and 4,5-ethylenedithio-1,3-dithiole-2-one. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100801 |
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