Thiophene-3-carbothioamide

Base Information

• Chemical Name: Thiophene-3-carbothioamide
• CAS No.: 24044-76-6
• Molecular Formula: C5H5 N S2
• Molecular Weight: 143.233
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70370520
• Wikidata: Q82157671
• ChEMBL ID: CHEMBL4526909
• Mol file: 24044-76-6.mol

Synonyms:thiophene-3-carbothioamide;24044-76-6;thiophene-3-thioamide;3-thiophenecarbothioamide;Thiophene-3-thiocarboxamide;Thiophene-3-carbothioic acid amide;MFCD00173746;Tiophene-3-thioamide;3-Thiophenethiocarboxamide;SCHEMBL5902476;CHEMBL4526909;DTXSID70370520;AFPMDKHZYQALNQ-UHFFFAOYSA-N;CHEBI:195164;HMS1744E22;AKOS001105190;PS-4416;Thiophene-3-thiocarboxamide, AldrichCPR;CS-10921;CS-0206769;FT-0638381;EN300-14265;A817060;Z99599750;F1967-2385

Chemical Property of Thiophene-3-carbothioamide

Chemical Property:

• Vapor Pressure: 0.0129mmHg at 25°C
• Melting Point: 96-98 °C
• Boiling Point: 259.5°Cat760mmHg
• PKA: 12?+-.0.29(Predicted)
• Flash Point: 110.7°C
• PSA: 86.35000
• Density: 1.357g/cm³
• LogP: 2.08260
• Sensitive.: Stench
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 142.98634151
• Heavy Atom Count: 8
• Complexity: 103

Purity/Quality:

98%min ^*data from raw suppliers

Thiophene-3-thioamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-43-36-22
• Safety Statements: 36/37-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC=C1C(=S)N

Technology Process of Thiophene-3-carbothioamide

There total 2 articles about Thiophene-3-carbothioamide 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: 85.0%

3-thiophenecarbonitrile (1641-09-4) → thiophene-3-thiocarboxamide (24044-76-6)

Guidance literature:

3-thiophenecarbonitrile; With calcium hydride; tiolacetic acid; at 80 ℃; for 1h;

With water; In ethyl acetate; at 20 ℃;

DOI:10.1055/s-0029-1217711

Reference yield:

3-carbamoylthiophene (51460-47-0) → thiophene-3-thiocarboxamide (24044-76-6)

Guidance literature:

With Lawessons reagent; In tetrahydrofuran; for 4h; Reflux;

DOI:10.1016/j.ejmech.2016.02.040

Reference yield: 97.0%

3-chloro-4H-chromen-4-one (18333-00-1) + thiophene-3-thiocarboxamide (24044-76-6) → (2-hydroxyphenyl)(2-(thiophen-3-yl)thiazol-4-yl)methanone

Guidance literature:

With potassium hydroxide; In ethanol; at 80 ℃; for 0.333333h; regioselective reaction;

DOI:10.1039/d0ob01019g

upstream raw materials:

3-thiophenecarbonitrile

3-carbamoylthiophene

Downstream raw materials:

Di(thienyl-3)-2,5-triazole-1,3,4

4-chloromethyl-2-thiophen-3-yl-thiazole

2-(3-thienyl)-4-(p-tolyl)thiazole

2-(3-thienyl)-4-(p-chlorophenyl)thiazole

Refernces

• 1、 Peng, Xiangjun,Qin, Feng,Xu, Mengyue,Zhu, Shaojie,Pan, Yingming,Tang, Haitao,Meng, Xiujin,Wang, Hengshan. "Synthesis of imidazo[1,2-: C] thiazoles through Pd-catalyzed bicyclization of tert-butyl isonitrile with thioamides". supporting information. p. 8403 - 8407. Retrieved 2019/09/30.
• 2、 Li, Zheng,Qiu, Qianqian,Xu, Xue,Wang, Xuekun,Jiao, Lei,Su, Xin,Pan, Miaobo,Huang, Wenlong,Qian, Hai. "Design, synthesis and Structure-activity relationship studies of new thiazole-based free fatty acid receptor 1 agonists for the treatment of type 2 diabetes". supporting information. p. 246 - 257. Retrieved 2016/03/08.