1-s-Ethyl-1-thiohexitol

Base Information

• Chemical Name: 1-s-Ethyl-1-thiohexitol
• CAS No.: 5139-39-9
• Molecular Formula: C8H18O5S
• Molecular Weight: 226.2905
• NSC Number: 135753
• DSSTox Substance ID: DTXSID00965701
• Mol file: 5139-39-9.mol

Synonyms:1-s-ethyl-1-thiohexitol;5139-39-9;NSC135753;SCHEMBL6676514;DTXSID00965701;NSC-135753

Chemical Property of 1-s-Ethyl-1-thiohexitol

Chemical Property:

• Vapor Pressure: 4.52E-13mmHg at 25°C
• Boiling Point: 521.9°Cat760mmHg
• Flash Point: 252.9°C
• Density: 1.383g/cm³
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 226.08749484
• Heavy Atom Count: 14
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSCC(C(C(C(CO)O)O)O)O

Technology Process of 1-s-Ethyl-1-thiohexitol

There total 5 articles about 1-s-Ethyl-1-thiohexitol 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:

D-galactose-diethyl-dithioacetal (5463-33-2) → S-ethyl-D-1-thio-galactitol (5139-39-9)

Guidance literature:

With nickel; isopropyl alcohol;

DOI:10.1139/v58-027

Reference yield:

penta-O-acetyl-S-ethyl-D-1-thio-galactitol (5575-66-6,33800-22-5) → S-ethyl-D-1-thio-galactitol (5139-39-9)

Guidance literature:

With barium methoxide; In methanol;

Reference yield:

(1Ξ)-D-O2,O3,O4,O5,O6-pentaacetyl-ethyl-1-bromo-1-thio-galactitol (5120-88-7,5160-12-3) → S-ethyl-D-1-thio-galactitol (5139-39-9)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) LiAlH₄, Et₂O, (ii) /BRN= 385737/, NaOAc

2: Ba(OMe)2 / methanol

With barium methoxide; In methanol;

upstream raw materials:

D-galactose-diethyl-dithioacetal

penta-O-acetyl-S-ethyl-D-1-thio-galactitol

(1Ξ)-D-O²,O³,O⁴,O⁵,O⁶-pentaacetyl-ethyl-1-bromo-1-thio-galactitol

Downstream raw materials:

L-fucitol