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64394-45-2 | [1,3]Dithiolo[4,5-d][1,3]dithiole-2,5-dione
CAS No: 64394-45-2 Catalog No: AG003B02 MDL No:MFCD00010403
Product Description
Catalog Number:
AG003B02
Chemical Name:
[1,3]Dithiolo[4,5-d][1,3]dithiole-2,5-dione
CAS Number:
64394-45-2
Molecular Formula:
C4H2O2S4
Molecular Weight:
210.3175
MDL Number:
MFCD00010403
IUPAC Name:
[1,3]dithiolo[4,5-d][1,3]dithiole-2,5-dione
InChI:
InChI=1S/C4O2S4/c5-3-7-1-2(9-3)10-4(6)8-1
InChI Key:
XMQJUIFJLYEFQR-UHFFFAOYSA-N
SMILES:
O=c1sc2c(s1)sc(=O)s2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.878g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.282g/mol
Monoisotopic Mass:
207.878g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Assignment of the in-plane molecular vibrations of the electron-donor molecule BDT-TTP based on polarized Raman and infrared spectra, in which BDT-TTP is 2,5-bis(1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalene. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20020601 |
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