Deuteriosulfanylmethane

Base Information

• Chemical Name: Deuteriosulfanylmethane
• CAS No.: 16978-68-0
• Molecular Formula: CH3DS
• Molecular Weight: 49.1008
• European Community (EC) Number: 693-417-8
• DSSTox Substance ID: DTXSID20584332
• Nikkaji Number: J685.825B
• Wikidata: Q82475978
• Mol file: 16978-68-0.mol

Synonyms:deuteriosulfanylmethane;16978-68-0;Methane(~2~H)thiol;DTXSID20584332;Methanethiol-S-d, 98 atom % D

Chemical Property of Deuteriosulfanylmethane

Chemical Property:

• Boiling Point: 6 °C(lit.)
• Flash Point: -18 °C
• PSA: 38.80000
• LogP: 0.54600
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 49.00964805
• Heavy Atom Count: 2
• Complexity: 2

Purity/Quality:

METHANETHIOL-S-D 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F+,T,N
• Statements: 12-23-50/53
• Safety Statements: 16-25-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS
• Isomeric SMILES: [2H]SC

Technology Process of Deuteriosulfanylmethane

There total 2 articles about Deuteriosulfanylmethane 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:

methylthiol (74-93-1) → methanethiol-d1 (16978-68-0)

Guidance literature:

With (CD₃COCD₃)D⁽¹⁺⁾; In gas; at 57.9 ℃; Rate constant; Mechanism; Thermodynamic data; experiment conditions: NBS pulsed ion cyclotron resonance; probability of a reactive H/D exchange encounter for the deuteronated ion as a function of the Gibbs free-energy change of the (endoergic) deuteron transfer reaction;

DOI:10.1021/ja00403a005

Reference yield:

methylthiol (74-93-1) → methanethiol-d1 (16978-68-0)

Guidance literature:

With hydrosulfide anion; at 26.9 ℃; under 0.3 - 0.6 Torr; Thermodynamic data; Rate constant; ΔH; selected ion flow tube;

DOI:10.1021/ja00311a028

Reference yield:

methanethiol-d1 (16978-68-0) → methane-d2 (676-55-1) + methylthiol (74-93-1) + methane (34557-54-5,27936-85-2) + Monodeuteromethan (676-49-3)

Guidance literature:

With W⁽⁰⁰¹⁾; Product distribution;

DOI:10.1021/j100015a044

upstream raw materials:

methylthiol

Downstream raw materials:

methane-d2

Monodeuteromethan

methylthiol

methane