2,2'-Sulfinyldiethanol

Base Information

• Chemical Name: 2,2'-Sulfinyldiethanol
• CAS No.: 3085-45-8
• Molecular Formula: C4H10 O3 S
• Molecular Weight: 138.188
• Hs Code.: 2930909090
• European Community (EC) Number: 848-255-4
• NSC Number: 743000
• DSSTox Substance ID: DTXSID30184862
• Nikkaji Number: J32.966E
• Wikidata: Q83055802
• Mol file: 3085-45-8.mol

Synonyms:2,2'-sulfinylbisethanol;2,2'-sulfinylbisethanol, 1,1,1',1'-(2)H-labeled;thiodiglycol sulfoxide

Chemical Property of 2,2'-Sulfinyldiethanol

Chemical Property:

• Melting Point: 111 °C
• Boiling Point: 434.3°Cat760mmHg
• PKA: 13.61±0.10(Predicted)
• Flash Point: 216.5°C
• PSA: 76.74000
• Density: 1.394g/cm³
• LogP: -0.41460
• Storage Temp.: ?20°C
• Solubility.: Methanol (Slightly), Water (Slightly)
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 138.03506535
• Heavy Atom Count: 8
• Complexity: 65.7

Purity/Quality:

98% ^*data from raw suppliers

2,2''-Sulfinyldiethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T
• Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 7-16-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CS(=O)CCO)O
• Uses: 2,2''-Sulfinyldiethanol is an important metabolite and degrdation product of sulfur mustard.

Technology Process of 2,2'-Sulfinyldiethanol

There total 2 articles about 2,2'-Sulfinyldiethanol 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: 23.0%

2,2'-thiobis-ethanol (111-48-8) + chloroamine-T (127-65-1) → bis(2-hydroxyethyl)sulfoxide (3085-45-8) + 2,2'-(p-tolylsulphonylimino-λ4-sulphanyl)diethanol (127535-47-1)

Guidance literature:

With water; acetic acid; In methanol; for 4h; Ambient temperature;

Reference yield:

2,2'-thiobis-ethanol (111-48-8) → bis(2-hydroxyethyl)sulfoxide (3085-45-8) + sulfonyldiethanol (2580-77-0)

Guidance literature:

With MnCl(OC₆H₂(C(CH₃)3)CH₂NC₄H₈OCHNC₂H₄NCHC₆H₂(C(CH₃)3)CH₂NC₄H₈OO); dihydrogen peroxide; at 21 ℃; pH=8.9 - 9.2;

DOI:10.1021/ja901872y

Reference yield: 54.0%

bis(2-hydroxyethyl)sulfoxide (3085-45-8) → sulfonyldiethanol (2580-77-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In chloroform; for 4h; Ambient temperature;

upstream raw materials:

2,2'-thiobis-ethanol

chloroamine-T

Downstream raw materials:

bis(2-bromoethyl)sulfide

sulfonyldiethanol

2-hydroxyethanesulfinic acid

Refernces

• 1、 Ferguson, George,Lough, Alan J.,Glidewell, Christopher,Low, John. "The Reaction of 2,2'-Thiodiethanol with Chloramine-T (Sodium N-Chlorotoluene-p-sulphonamide): Crystal and Molecular Structures of 2,2'-(p-Tolylsulphonylimino-λ4-sulphanyl)diethanol Monohydrate and 2,2'-Sulphinyldiethanol". . p. 1685 - 1690. Retrieved 2007/10/02.