Dithiane-3,6-dicarboxylic acid

Base Information

• Chemical Name: Dithiane-3,6-dicarboxylic acid
• CAS No.: 6623-09-2
• Molecular Formula: C₆H₈O₄S₂
• Molecular Weight: 208.259
• Hs Code.: 2934999090
• NSC Number: 54128
• DSSTox Substance ID: DTXSID701103644
• Nikkaji Number: J1.158.025D
• ChEMBL ID: CHEMBL1878841
• Mol file: 6623-09-2.mol

Synonyms:dithiane-3,6-dicarboxylic acid;6623-09-2;NSC54128;MLS002667662;NSC 54128;(1,2)Dithiane-3,6-dicarboxylic acid;[1,2]Dithiane-3,6-dicarboxylic acid;CHEMBL1878841;SCHEMBL11408850;DTXSID701103644;HMS3080I06;NSC-54128;SMR001557422

Chemical Property of Dithiane-3,6-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 1.25E-10mmHg at 25°C
• Boiling Point: 482.3°C at 760 mmHg
• Flash Point: 245.5°C
• PSA: 125.20000
• Density: 1.603g/cm³
• LogP: 1.06800
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 207.98640108
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(SSC1C(=O)O)C(=O)O

Technology Process of Dithiane-3,6-dicarboxylic acid

There total 8 articles about Dithiane-3,6-dicarboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ racem-1,2-Dithian-3,6-dicarbonsaeure (2611-41-8,6623-09-2,28463-60-7,32737-66-9,60295-66-1,60295-69-4)

Guidance literature:

With sulfuric acid; iodine;

Reference yield:

cis-[1,2]dithiane-3,6-dicarboxylic acid (2611-41-8) → racem-1,2-Dithian-3,6-dicarbonsaeure (2611-41-8,6623-09-2,28463-60-7,32737-66-9,60295-66-1,60295-69-4)

Guidance literature:

at 220 ℃;

Reference yield:

racem-1,2-Dithian-3,6-dicarbonsaeure (2611-41-8,6623-09-2,28463-60-7,32737-66-9,60295-66-1,60295-69-4) → (R)-trans-[1,2]dithiane-3,6-dicarboxylic acid (2611-41-8,6623-09-2,28463-60-7,32737-66-9,60295-66-1,60295-69-4)

Guidance literature:

With Cinchonin;

upstream raw materials:

racem-1,2-Dithian-3,6-dicarbonsaeure

cis-[1,2]dithiane-3,6-dicarboxylic acid

Downstream raw materials:

(S)-trans-[1,2]dithiane-3,6-dicarboxylic acid

(R)-trans-[1,2]dithiane-3,6-dicarboxylic acid