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Home Carboxys Dimethyl 1,3-dithiol-2-thione-4,5-dicarboxylate

Dimethyl 1,3-dithiol-2-thione-4,5-dicarboxylate

CAS No.:
7396-41-0
Catalog Number:
AG003PKP
Molecular Formula:
C7H6O4S3
Molecular Weight:
250.3151
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$50
- +
5g
95%
In Stock USA
United States
$132
- +
10g
95%
In Stock USA
United States
$207
- +
Product Description
Catalog Number:
AG003PKP
Chemical Name:
Dimethyl 1,3-dithiol-2-thione-4,5-dicarboxylate
CAS Number:
7396-41-0
Molecular Formula:
C7H6O4S3
Molecular Weight:
250.3151
MDL Number:
MFCD00142532
IUPAC Name:
dimethyl 2-sulfanylidene-1,3-dithiole-4,5-dicarboxylate
InChI:
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
SMILES:
COC(=O)c1sc(=S)sc1C(=O)OC
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.943g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.301g/mol
Monoisotopic Mass:
249.943g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Resonance Raman intensity analysis of the A band short-time photochemical dynamics of 4,5-ethylenedithio-1,3-dithiole-2-thione. The journal of physical chemistry. A 20111222
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties