6-Thiabicyclo[3.1.0]hexane

Base Information

• Chemical Name: 6-Thiabicyclo[3.1.0]hexane
• CAS No.: 285-75-6
• Molecular Formula: C5H8 S
• Molecular Weight: 100.185
• Hs Code.: 2934999090
• NSC Number: 19432
• UNII: C3X9VNW6PU
• DSSTox Substance ID: DTXSID20280963
• Nikkaji Number: J746.990J
• Mol file: 285-75-6.mol

Synonyms:6-Thiabicyclo[3.1.0]hexane;285-75-6;NSC-19432;cyclopentene sulfide;NSC19432;cyclopentene sulphide;Cyclopentane-episulfide;Cyclopentene episulfide;C3X9VNW6PU;Cyclopentane, 1,2-epithio-;6-thiabicyclo[3.1.0]hexan;SCHEMBL3838064;DTXSID20280963;6-Thiabicyclo[3.1.0]hexane #;GYDYAIFGNFSDAP-UHFFFAOYSA-N

Chemical Property of 6-Thiabicyclo[3.1.0]hexane

Chemical Property:

• Vapor Pressure: 7.07mmHg at 25°C
• Boiling Point: 142.2°Cat760mmHg
• Flash Point: 37°C
• PSA: 25.30000
• Density: 1.152g/cm³
• LogP: 1.65430
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 100.03467143
• Heavy Atom Count: 6
• Complexity: 62.3

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2C(C1)S2

Technology Process of 6-Thiabicyclo[3.1.0]hexane

There total 3 articles about 6-Thiabicyclo[3.1.0]hexane 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:

Cyclopentene oxide (285-67-6) + carbon dioxide (124-38-9,18923-20-1) → 6-thiabicyclo[3.1.0]hexane (285-75-6) + cyclopentene (142-29-0) + (3aR,6aS)-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one (87057-82-7)

Guidance literature:

With carbon disulfide; chloro{bis-N,N'-(salicylaldehyde)ethylenediiminato}chromium(III); bis(triphenylphosphine)iminium chloride; at 80 ℃; for 6h; Mechanism;

DOI:10.1021/ma4015438

Reference yield:

Cyclopentene oxide (285-67-6) + carbon dioxide (124-38-9,18923-20-1) → 6-thiabicyclo[3.1.0]hexane (285-75-6) + trans-cyclopentene trithiocarbonate (56155-81-8,116954-95-1) + cyclopentene (142-29-0) + (3aR,6aS)-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-one (87057-82-7)

Guidance literature:

With carbon disulfide; chloro{bis-N,N'-(salicylaldehyde)ethylenediiminato}chromium(III); bis(triphenylphosphorylidene)ammonium azide; at 80 ℃; for 24h; Mechanism;

DOI:10.1021/ma4015438

Reference yield:

→ 6-thiabicyclo[3.1.0]hexane (285-75-6) + trans-2-mercaptocyclopentan-1-ol (5449-08-1)

Guidance literature:

With hydrogenchloride;

DOI:10.1039/jr9540001536

upstream raw materials:

Cyclopentene oxide

carbon dioxide

Downstream raw materials:

cyclopentene

Refernces