Sodium 1-phenyl-1H-tetrazole-5-thiolate

Base Information

• Chemical Name: Sodium 1-phenyl-1H-tetrazole-5-thiolate
• CAS No.: 15052-19-4
• Molecular Formula: C7H6 N4 S . Na
• Molecular Weight: 200.199
• Hs Code.: 2933990090
• European Community (EC) Number: 239-121-0
• UNII: 3632H9JX2M
• Nikkaji Number: J33.287I
• Wikidata: Q27896323
• Mol file: 15052-19-4.mol

Synonyms:Sodium 1-phenyl-1H-tetrazole-5-thiolate;1-Phenyl-1H-tetrazole-5-thiol sodium salt;sodium 1-phenyltetrazole-5-thiolate;15052-19-4;C7H6N4S.Na;C7-H6-N4-S.Na;3632H9JX2M;5H-Tetrazole-5-thione, 1,2-dihydro-1-phenyl-, sodium salt;SCHEMBL8513335;RSZMKAPXKXEWBY-UHFFFAOYSA-M;1-Phenyl-5-(sodiothio)-1H-tetrazole;SODIUM 1-PHENYL-5-MERCAPTOTETRAZOLE;1-PHENYL-2-TETRAZOLINE-5-THIONE SODIUM;1-Phenyl-1H-tetrazole-5-thiol sodium salt, 98%;1-Phenyl-1H-tetrazole-5-thiol,sodium sa lt,98%;J-008715;Q27896323;sodium (1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanide

Chemical Property of Sodium 1-phenyl-1H-tetrazole-5-thiolate

Chemical Property:

• Vapor Pressure: 8.74E-05mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Boiling Point: 340.2°Cat760mmHg
• Flash Point: 159.5°C
• PSA: 68.90000
• Density: g/cm³
• LogP: 1.21870
• Solubility.: water: soluble1g/15ml, clear
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 200.01326163
• Heavy Atom Count: 13
• Complexity: 153

Purity/Quality:

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

1-Phenyl-1H-tetrazole-5-thiol sodium salt 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=NN=N2)[S-].[Na+]

Technology Process of Sodium 1-phenyl-1H-tetrazole-5-thiolate

There total 2 articles about Sodium 1-phenyl-1H-tetrazole-5-thiolate 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:

1-Phenyl-1H-tetrazole-5-thiol (86-93-1) → 5-mercapto-1-phenyl-1H-tetrazole sodium salt (15052-19-4)

Guidance literature:

With sodium methylate; In methanol; at 0 - 20 ℃; for 1h;

Reference yield:

phenyl isothiocyanate (103-72-0) → 5-mercapto-1-phenyl-1H-tetrazole sodium salt (15052-19-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium azide / 5 h / Reflux

2: sodium carbonate / ethanol / 12 h / 45 °C

With sodium azide; sodium carbonate; In ethanol;

DOI:10.1002/adfm.201203374

Reference yield: 100.0%

Ethyl 4-bromobutyrate (2969-81-5) + 5-mercapto-1-phenyl-1H-tetrazole sodium salt (15052-19-4) → ethyl-4-[(1-phenyl-1H-tetrazole-5-yl)thio]butanoate (1173997-34-6)

Guidance literature:

In acetone; for 2h; Reflux;

DOI:10.1021/ol401801g

upstream raw materials:

1-Phenyl-1H-tetrazole-5-thiol

phenyl isothiocyanate

Downstream raw materials:

6-<<(1-phenyl-1,2,3,4-tetrazol-5-yl)thio>methyl>uracil

5-<(1-phenyl-5-thioxo-2-tetrazolin-4-yl)methyl>uracil

5-<<(1-phenyl-1,2,3,4-tetrazol-5-yl)thio>methyl>uracil

6-Methyl-5-(1-phenyl-1H-tetrazol-5-ylsulfanylmethyl)-1H-pyrimidine-2,4-dione