3,3'-Thiodipropanol

Base Information

• Chemical Name: 3,3'-Thiodipropanol
• CAS No.: 10595-09-2
• Molecular Formula: C6H14 O2 S
• Molecular Weight: 150.242
• Hs Code.: 29309099
• European Community (EC) Number: 284-094-0,234-202-7
• NSC Number: 46435
• DSSTox Substance ID: DTXSID90909836
• Nikkaji Number: J227.017J
• Wikidata: Q82879520
• Mol file: 10595-09-2.mol

Synonyms:3,3'-Thiodipropanol;10595-09-2;Thiodipropanol;3,3'-Thiobis(propan-1-ol);3-(3-hydroxypropylsulfanyl)propan-1-ol;3,3'-Thiodipropan-1-ol;1-Propanol, 3,3'-thiobis-;EINECS 234-202-7;EINECS 284-094-0;84777-64-0;NSC46435;hydroxypropyl sulfide;3,3'-thiodi-1-propanol;3,3'-Thiobis(1-propanol);SCHEMBL331879;3,3'-Thiodipropanol, 98%;DTXSID90909836;3,3'-Sulfanediyldi(propan-1-ol);MFCD00002954;NSC 46435;NSC-46435;AKOS005206918;SB85144;CS-0440634;FT-0614100;J-001505

Chemical Property of 3,3'-Thiodipropanol

Chemical Property:

• Refractive Index: n20/D 1.51(lit.)
• Boiling Point: 329.8°Cat760mmHg
• PKA: 14.62±0.10(Predicted)
• Flash Point: 122.6°C
• PSA: 65.76000
• Density: 1.1g/cm³
• LogP: 0.48440
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 150.07145086
• Heavy Atom Count: 9
• Complexity: 44.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,3′-Thiodipropanol 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21
• Safety Statements: 23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CO)CSCCCO
• Uses: 3,3''-Thiodipropanol is used in determining the presence of thiodiglycol in water.

Technology Process of 3,3'-Thiodipropanol

There total 13 articles about 3,3'-Thiodipropanol 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: 100.0%

Dimethyl 3,3'-thiodipropionate (4131-74-2) → 3,3'-thiodipropanol (10595-09-2)

Guidance literature:

With methanol; sodium tetrahydroborate; In diethyl ether; at 20 ℃; for 0.25h;

DOI:10.1016/S0040-4039(00)00943-6

Reference yield: 65.0%

1-bromo-3-propanol (627-18-9) → 3,3'-thiodipropanol (10595-09-2)

Guidance literature:

With sodium sulfide; In ethanol; for 18h; Heating;

DOI:10.1139/v96-156

Reference yield:

bis-(3-benzyloxy-propyl)-sulfide (184094-92-6) + hydrogen bromide (10035-10-6,12258-64-9) → 3,3'-thiodipropanol (10595-09-2) + benzyl bromide (100-39-0)

Guidance literature:

upstream raw materials:

trimethylene oxide

allyl alcohol

1-chloro-3-hydroxypropane

4-thiaheptane-1,7-dioic acid

Downstream raw materials:

propan-1-ol

5-(4-cyano-phenyl)-7-methyl-3-oxo-2-{3-[3-(toluene-4-sulfonyloxy)-propane-1-sulfonyl]-propyl}-8-(3-trifluoromethyl-phenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester

5-(4-cyano-phenyl)-2-[3-(3-hydroxy-propane-1-sulfonyl)-propyl]-7-methyl-3-oxo-8-(3-trifluoromethyl-phenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester

2-{3-[3-(tert-butyl-dimethyl-silanyloxy)-propane-1-sulfonyl]-propyl}-5-(4-cyano-phenyl)-7-methyl-3-oxo-8-(3-trifluoromethyl-phenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester

Refernces

• 1、 Rawle, Simon C.,Admans, Gary A.,Cooper, Stephen R.. "Crown Thioether Chemistry. Synthesis and Structural Investigation of 1,5,9-Trithiacyclododecane (Trithia-12-crown-3) and its Copper(II) Chloride Adduct". . p. 93 - 96. Retrieved 1988.
• 2、 Loeb,Mansfield. "Platinum(II) complexes of the tridentate thioether ligands RS(CH2)3S(CH2)3SR (R = Et, iPr, Ph). Structures of [PtCl(iPrS(CH2)3S(CH2)3SiPr)][BF4], [Ptl(PhS(CH2)3S(CH2)2SPh)][BF4], and". . p. 1377 - 1390. Retrieved 2007/10/03.