Benzyl hydrazinecarbodithioate

Base Information

• Chemical Name: Benzyl hydrazinecarbodithioate
• CAS No.: 13331-31-2
• Molecular Formula: C8H10N2S2
• Molecular Weight: 198.313
• DSSTox Substance ID: DTXSID60405638
• Nikkaji Number: J870.142C
• NSC Number: 244036
• Mol file: 13331-31-2.mol

Synonyms:benzyl hydrazinecarbodithioate;13331-31-2;benzyl N-aminocarbamodithioate;s-benzyl dithiocarbazate;Hydrazinecarbodithioic acid, phenylmethyl ester;NSC244036;SCHEMBL6210141;DTXSID60405638;XDAPOZNYUAPWCC-UHFFFAOYSA-N;dithiocarbazic acid-S-benzyl ester;trans-cis S-Benzyl dithiocarbazate;AKOS006332858;hydrazinecarbodithioic acid benzyl ester;NSC-244036;{[(BENZYLSULFANYL)METHANETHIOYL]AMINO}AMINE

Chemical Property of Benzyl hydrazinecarbodithioate

Chemical Property:

• Vapor Pressure: 0.000129mmHg at 25°C
• Refractive Index: 1.682
• Boiling Point: 334.3 °C at 760 mmHg
• Flash Point: 156 °C
• Density: 1.29 g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 198.02854067
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CSC(=S)NN

Technology Process of Benzyl hydrazinecarbodithioate

There total 9 articles about Benzyl hydrazinecarbodithioate 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: 75.0%

carbon disulfide (75-15-0,12122-00-8) + benzyl chloride (100-44-7) → S-benzyldithiocarbazate (13331-31-2)

Guidance literature:

carbon disulfide; With hydrazine hydrate; potassium hydroxide; In ethanol; at 0 ℃; for 1h;

benzyl chloride; In ethanol;

DOI:10.1007/s11243-013-9780-y

Reference yield: 33.4%

carbon disulfide (75-15-0,12122-00-8) + benzyl chloride (100-44-7) + hydrazine hydrate (7803-57-8,79785-97-0) → S-benzyldithiocarbazate (13331-31-2)

Guidance literature:

carbon disulfide; hydrazine hydrate; With potassium hydroxide; In ethanol; at 0 ℃; for 2h;

benzyl chloride; In ethanol; at 0 ℃; for 2h;

DOI:10.1039/c5dt02042e

Reference yield: 19.0%

carbon disulfide (75-15-0,12122-00-8) + benzoyl chloride (98-88-4) → S-benzyldithiocarbazate (13331-31-2)

Guidance literature:

carbon disulfide; With hydrazine hydrate; In ethanol; at 8 - 10 ℃;

benzoyl chloride; In ethanol;

DOI:10.1002/1099-0682(200104)2001:4<935::AID-EJIC935>3.0.CO;2-J

upstream raw materials:

carbon disulfide

benzyl chloride

dithiocarbonic acid hydrazide

benzoyl chloride

Downstream raw materials:

S-benzyl-β-N-(furyl)methylenedithiocarbazate

methylene-dithiocarbazic acid benzyl ester

3-benzylmercapto-1⁽²⁾H-pyrazole-4-carboxylic acid ethyl ester

benzylmercapto-[1,3,4]thiadiazole

Refernces

• 1、 Shanmuga Sundara Raj,Yamin, Bohari M.,Yussof, Yusrabbil A.,Tarafder,Fun, Hoong-Kun,Grouse. "trans-cis S-benzyl dithiocarbazate". . p. 1236 - 1237. Retrieved 2000.
• 2、 Ahmad, Aijaz,Dar, Ovas Ahmad,Hashmi, Athar Adil,Lone, Shabir Ahmad,Malik, Manzoor Ahmad,Talukdar, Md. Ikbal Ahmed,Wani, Mohmmad Younus. "S-benzyldithiocarbazate imine coordinated metal complexes kill Candida albicans by causing cellular apoptosis and necrosis". . . Retrieved 2020.
• 3、 Wise, Catherine F.,Liu, Dan,Mayer, Kathryn J.,Crossland, Patrick M.,Hartley, Carolyn L.,McNamara, William R.. "A nickel complex of a conjugated bis-dithiocarbazate Schiff base for the photocatalytic production of hydrogen". . p. 14265 - 14271. Retrieved 2015.
• 4、 Chakraborty, Manashi,Roychowdhury, Sathi,Pramanik, Nikhil Ranjan,Raychaudhuri, Tapas Kumar,Mondal, Tapan Kumar,Kundu, Subhankar,Drew, Michael G.B.,Ghosh, Saktiprosad,Mandal, Sudhanshu Sekhar. "Synthesis, characterization, crystal structure and density functional theory (DFT) calculations of dioxomolybdenum (VI) complexes of an ONS donor ligand derived from benzoylacetone and S-benzyl dithiocarbazate". . p. 602 - 611. Retrieved 2013.
• 5、 Yusof, Enis Nadia Md,Latif, Muhammad A. M.,Tahir, Mohamed I. M.,Ravoof, Thahira B. S. A.,Simone, Michela I.,Page, Alister J.,Sakoff, Jennette A.,Veerakumarasivam, Abhi,Tiekink, Edward R. T.. "O-vanillin derived schiff bases and their organotin(Iv) compounds: Synthesis, structural characterisation, in-silico studies and cytotoxicity". . . Retrieved 2019/04/11.