3-Thietanol

Base Information

• Chemical Name: 3-Thietanol
• CAS No.: 10304-16-2
• Molecular Formula: C3H6OS
• Molecular Weight: 90.146
• Hs Code.: 2934999090
• European Community (EC) Number: 233-678-3
• NSC Number: 101854
• DSSTox Substance ID: DTXSID50145617
• Nikkaji Number: J236.756D
• Wikidata: Q83010180
• Mol file: 10304-16-2.mol

Synonyms:thietan-3-ol;3-Thietanol;10304-16-2;3-Thietan-1-ol;3-hydroxythietane;EINECS 233-678-3;MFCD11848695;Thiacyclobutan-3-ol;NSC101854;Thiacyclobutane-3-ol;DTXSID50145617;AMY35636;AKOS005258408;NSC 101854;NSC-101854;SB22362;AS-56309;SY099721;CS-0045447;FT-0758709;EN300-76044;P17229

Chemical Property of 3-Thietanol

Chemical Property:

• Vapor Pressure: 0.193mmHg at 25°C
• Refractive Index: 1.616
• Boiling Point: 185.8 °C at 760 mmHg
• PKA: 13.55±0.20(Predicted)
• Flash Point: 91.3 °C
• PSA: 45.53000
• Density: 1.336 g/cm³
• LogP: 0.09410
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 90.01393598
• Heavy Atom Count: 5
• Complexity: 33.9

Purity/Quality:

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

Thietan-3-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CS1)O

Technology Process of 3-Thietanol

There total 11 articles about 3-Thietanol 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: 90.0%

epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 3-thietanol (10304-16-2)

Guidance literature:

benzyltriethylammonium tetrathiomolybdate; In ethanol; acetonitrile; at 28 ℃; for 3h;

DOI:10.1021/jo0263418

Reference yield: 81.0%

1,3-Dichloro-2-propanol (96-23-1) → 3-thietanol (10304-16-2)

Guidance literature:

With sodium sulfide; triethylhexadecylammonium chloride; In dichloromethane; water; for 3h;

DOI:10.1055/s-1982-29867

Reference yield: 73.0%

oxiranyl-methanol (556-52-5) → 3-thietanol (10304-16-2)

Guidance literature:

oxiranyl-methanol; With dicyclohexyl-carbodiimide; copper(l) chloride; at 28 ℃;

benzyltriethylammonium tetrathiomolybdate; In ethanol; acetonitrile; at 28 ℃; Further stages.;

DOI:10.1021/jo0263418

upstream raw materials:

1,3-Dichloro-2-propanol

2-(chloromethyl)thiirane

ammonium thiocyanate

oxiranyl-methanol

Downstream raw materials:

thioformaldehyde

acetaldehyde

3-pyridinium-thietane p-toluenesulfonate