C8H5Nos3

Base Information

• Chemical Name: C8H5Nos3
• CAS No.: 98800-09-0
• Molecular Formula: C₈H₅NOS₃
• Molecular Weight: 227.332
• NSC Number: 31054
• DSSTox Substance ID: DTXSID101213108
• Nikkaji Number: J48.292G
• ChEMBL ID: CHEMBL1957779
• Mol file: 98800-09-0.mol

Synonyms:6319-47-7;NSC31054;C8H5NOS3;CHEMBL1957779;5-(2-Thenylidene)rhodanine;98800-09-0;MLS002639368;C8-H5-N-O-S3;5-(2-Thienylidene)rhodanine;SCHEMBL8178919;DTXSID101213108;BDBM50248916;CCG-54029;NSC-31054;STK983821;STL149171;STL408073;AKOS001320171;AKOS005748975;AKOS025252259;WLN: T5SJ B1U- CT5MVYSYJ EUS;SR-01000643151-1;(5Z)-5-(2-Thienylmethylene)-2-thioxo-4-thiazolidinone;5-(2-Thienylmethylene)-2-thioxo-1,3-thiazolidin-4-one;(5Z)-5-(2-thienylmethylene)-2-thioxo-thiazolidin-4-one;(5Z)-5-(thiophen-2-yl-methylene)-2-thioxo-thiazolidin-4-one;(z)-5-((thiophen-2-yl) methylene)-2-thioxothiazolidin-4-one;(5Z)-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one;(5Z)-2-sulfanyl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4(5H)-one;(5Z)-4-hydroxy-5-(thiophen-2-ylmethylidene)-1,3-thiazole-2(5H)-thione

Chemical Property of C8H5Nos3

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 226.95332730
• Heavy Atom Count: 13
• Complexity: 287

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CSC(=C1)C=C2C(=O)NC(=S)S2
• Isomeric SMILES: C1=CSC(=C1)/C=C\2/C(=O)NC(=S)S2

Technology Process of C8H5Nos3

There total 2 articles about C8H5Nos3 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: 94.0%

thiophene-2-carbaldehyde (98-03-3) + 2-thioxo-4-thiazolidinone (141-84-4) → 5-(2'-thiophenemethylene)rhodamine (6319-47-7,98800-08-9,98800-09-0)

Guidance literature:

With thiourea; urea; at 110 ℃; for 0.133333h; Neat (no solvent);

DOI:10.1016/j.bmcl.2012.07.049

Reference yield:

→ 5-(2'-thiophenemethylene)rhodamine (6319-47-7,98800-08-9,98800-09-0)

Guidance literature:

/BRN= 158997/;

DOI:10.1021/jo01157a011 DOI:10.1021/jo01147a014

Reference yield: 73.0%

piperidine (110-89-4) + (Z)-5-(thiophen-2-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one (98800-09-0) → (Z)-2-(piperidin-1-yl)-5-(thiophen-2-ylmethylene)thiazol-4(5H)-one (1105571-67-2)

Guidance literature:

In ethanol; for 6h; Reflux;

DOI:10.1248/cpb.c20-00714

upstream raw materials:

thiophene-2-carbaldehyde

2-thioxo-4-thiazolidinone

Downstream raw materials:

3-thiophen-2-yl-2-thioxo-propionic acid

3-(tetra-O-acetyl-β-D-glucopyranosyl)-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-4-one

thieno[3,2-b]thiophene-2-carboxylic acid