440779
Dimethyl 2-thioxo-1,3-dithiole-4,5-dicarboxylate
98%
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Empirical Formula (Hill Notation):
C7H6O4S3
CAS Number:
Molecular Weight:
250.32
Beilstein:
1288368
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
98%
form
solid
mp
86-90 °C (lit.)
SMILES string
COC(=O)C1=C(SC(=S)S1)C(=O)OC
InChI
1S/C7H6O4S3/c1-10-5(8)3-4(6(9)11-2)14-7(12)13-3/h1-2H3
InChI key
UZKKFHMMXWDIPD-UHFFFAOYSA-N
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General description
Dimethyl 2-thioxo-1,3-dithiole-4,5-dicarboxylate is a sulphur-containing heterocyclic building block. It has been reported to be formed during the reaction of 1,3-dithiolan-2-thiones with dimethyl acetylenedicarboxylate. It is formed as major product during the reaction of ethylene trithiocarbonate with dimethyl acetylenedicarboxylate.
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Certificates of Analysis (COA)
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The dithiole series. Part V. Reactions of 1, 2-dithiole-3-thiones and 1, 3-dithiolan-2-thiones with acetylenic esters and with benzyne.
Easton DBJ, et al.
Journal of the Chemical Society. Perkin Transactions 1, 41-45 (1972)
New thiopyran-4-spiro-2'-(1, 3-dithiolane): Formation mechanism and crystal structure.
Li HQ, et al.
CRC Handbook of Thermoelectronics, 22(3), 280-283 (2011)
The pyridazine-tetrathiafulvalene conjugates: synthesis, photophysical, and electrochemical properties.
Zheng N, et al.
Tetrahedron, 68(6), 1782-1789 (2012)
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