Hexasodium benzenehexathiolate

Base Information

• Chemical Name: Hexasodium benzenehexathiolate
• CAS No.: 110431-65-7
• Molecular Formula: C6H6 S6 . 6 Na
• Molecular Weight: 402.401
• Hs Code.: 2930909090
• European Community (EC) Number: 683-069-5
• DSSTox Substance ID: DTXSID50551431
• Nikkaji Number: J357.222F
• Mol file: 110431-65-7.mol

Synonyms:110431-65-7;Hexasodium benzenehexathiolate;Hexa-sodium-benzene-hexathiolate;1,2,3,4,5,6-Benzenehexathiol,sodium salt (1:6);hexasodium;benzene-1,2,3,4,5,6-hexathiolate;DTXSID50551431;Hexasodium benzene-1,2,3,4,5,6-hexakis(thiolate)

Chemical Property of Hexasodium benzenehexathiolate

Chemical Property:

• PSA: 0.00000
• LogP: 1.12140
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 401.7710427
• Heavy Atom Count: 18
• Complexity: 104

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1[S-])[S-])[S-])[S-])[S-])[S-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Technology Process of Hexasodium benzenehexathiolate

There total 2 articles about Hexasodium benzenehexathiolate 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: 80.0%

hexakis(benzylthio)benzene (127022-77-9) → Hexa-natrium-benzen-hexathiolat (110431-65-7)

Guidance literature:

With ammonia; sodium; at -33 ℃; for 30h;

Reference yield:

hexakis(isopropylthio)benzene (74542-72-6) → Hexa-natrium-benzen-hexathiolat (110431-65-7)

Guidance literature:

With ammonia; sodium; at -78 ℃;

DOI:10.1039/DT9940002333

Reference yield: 96.0%

Hexa-natrium-benzen-hexathiolat (110431-65-7) → hexamercaptobenzene (62968-45-0)

Guidance literature:

With hydrogenchloride;

DOI:10.1039/DT9940002333

upstream raw materials:

hexakis(isopropylthio)benzene

hexakis(benzylthio)benzene

Downstream raw materials:

C₂₇H₁₅N₃S₆

hexamercaptobenzene

4,5,6,7-Tetrakis-benzylsulfanyl-benzo[1,3]dithiole-2-thione

hexakis(benzylthio)benzene

Refernces

• 1、 Chen, Zhongfang,Sutton, Liam R.,Moran, Damian,Hirsch, Andreas,Thiel, Walter,Von Rague Schleyer, Paul. "A Theoretical and Structural Investigation of Thiocarbon Anions". . p. 8808 - 8814. Retrieved 2003.