1,3-Dithiole-4,5-dicarboxylic acid, 2-thioxo-, dimethyl ester


Chemical Name: 1,3-Dithiole-4,5-dicarboxylic acid, 2-thioxo-, dimethyl ester
CAS Number: 7396-41-0
Product Number: AG003PKP(AGN-PC-0JSP8R)
Synonyms:
MDL No:
Molecular Formula: C7H6O4S3
Molecular Weight: 250.31514

Identification/Properties


Properties
MP:
86-90 °C(lit.)
BP:
362.5°C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
250.301g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
4
Exact Mass:
249.943g/mol
Monoisotopic Mass:
249.943g/mol
Topological Polar Surface Area:
135A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
304
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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