Carbamodithioic acid, 1-naphthalenyl-, methyl ester (9CI)

Base Information

• Chemical Name: Carbamodithioic acid, 1-naphthalenyl-, methyl ester (9CI)
• CAS No.: 13037-43-9
• Molecular Formula: C12H11 N S2
• Molecular Weight: 233.358
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID20156492
• Nikkaji Number: J42.423D
• Mol file: 13037-43-9.mol

Synonyms:13037-43-9;methyl N-naphthalen-1-ylcarbamodithioate;Methyl 1-naphthyldithiocarbamate;Dithio-1-naphthalenecarbamic acid methyl ester;Carbamodithioic acid, 1-naphthalenyl-, methyl ester (9CI);Methyl 1-naphthalenylcarbamodithioate;BRN 2806154;S-Methyl-N-(1-naphthyl)-dithiocarbamat [German];Carbamodithioic acid, 1-naphthalenyl-, methyl ester;S-Methyl-N-(1-naphthyl)-dithiocarbamat;3-12-00-02946 (Beilstein Handbook Reference);1-NAPHTHALENECARBAMIC ACID, DITHIO-, METHYL ESTER;C12H11NS2;DTXSID20156492;C12-H11-N-S2;LS-94447;1-Naphthalenedithiocarbamic acid methyl ester

Chemical Property of Carbamodithioic acid, 1-naphthalenyl-, methyl ester (9CI)

Chemical Property:

• Vapor Pressure: 4.82E-06mmHg at 25°C
• Boiling Point: 382.1°Cat760mmHg
• Flash Point: 184.9°C
• PSA: 76.46000
• Density: 1.307g/cm³
• LogP: 4.12010
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 233.03329170
• Heavy Atom Count: 15
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC(=S)NC1=CC=CC2=CC=CC=C21

Technology Process of Carbamodithioic acid, 1-naphthalenyl-, methyl ester (9CI)

There total 1 articles about Carbamodithioic acid, 1-naphthalenyl-, methyl ester (9CI) 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:

S-methyl-N,N'-di-[1]naphthyl-isothiourea → S-methyl-N-(naphthalen-1-yl)carbamodithioate (13037-43-9) + 1-isothiocyanatonaphthalene (551-06-4)

Guidance literature:

at 180 ℃;

Reference yield: 90.0%

S-methyl-N-(naphthalen-1-yl)carbamodithioate (13037-43-9) → 1-isothiocyanatonaphthalene (551-06-4)

Guidance literature:

With sodium hydroxide; In toluene; for 1.5h; Heating;

Reference yield: 28.0%

S-methyl-N-(naphthalen-1-yl)carbamodithioate (13037-43-9) + 5-(N-benzylamino)-4-chloro-2-methyl-3(2H)-pyridazinone (148750-50-9) → 3-Benzyl-6-methyl-2-[(Z)-naphthalen-1-ylimino]-2,3-dihydro-6H-thiazolo[4,5-d]pyridazin-7-one (136353-45-2)

Guidance literature:

With sodium hydride; In dimethyl sulfoxide; at 80 ℃; for 48h;

Downstream raw materials:

1-naphthalen-1-yl-1,4-dihydro-tetrazole-5-thione

3-Benzyl-6-methyl-2-[(Z)-naphthalen-1-ylimino]-2,3-dihydro-6H-thiazolo[4,5-d]pyridazin-7-one

1-isothiocyanatonaphthalene

C₂₆H₂₀N₄S₂

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