17654-88-5

Basic information

• Product Name: 3-PHENYL-5-MERCAPTO-1,3,4-THIAZOLETHIONE POTASSIUM SALT
• Synonyms: 2-MERCAPTO-4-PHENYL-DELTA2-1,3,4-THIADIAZOLINE-5-THIONE POTASSIUM SALT;OTAVA-BB BB7020410045;1,3,4-Thiadiazolidine-2,5-dithione,3-phenyl-;3,4-Thiadiazolidine-2,5-dithione,3-phenyl-1;3-phenylbismuthol;4-thiadiazole-2-thione,5-mercapto-3-phenyl-2h-3;4-thiadiazolidine-2,5-dithione,3-phenyl-3;4-thiadiazolidine-5-thione,2-mercapto-4-phenyl-delta2-3
• CAS NO: 17654-88-5
• Molecular Formula: C₈H₆N₂S₃
• Molecular Weight: 226.34
• EINECS: 241-636-0
• Mol File: 17654-88-5.mol
• Article Data: 1

Chemical Properties

• Melting Point: 246.25°C
• Boiling Point: 320°Cat760mmHg
• Flash Point: 147.3°C
• Appearance: /
• Density: 1.3936 (rough estimate)
• Vapor Pressure: 0.000327mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• CAS DataBase Reference: 3-PHENYL-5-MERCAPTO-1,3,4-THIAZOLETHIONE POTASSIUM SALT(CAS DataBase Reference)
• NIST Chemistry Reference: 3-PHENYL-5-MERCAPTO-1,3,4-THIAZOLETHIONE POTASSIUM SALT(17654-88-5)
• EPA Substance Registry System: 3-PHENYL-5-MERCAPTO-1,3,4-THIAZOLETHIONE POTASSIUM SALT(17654-88-5)

Safety Data

• Hazardous Substances Data: 17654-88-5(Hazardous Substances Data)

Usage

General Description

3-PHENYL-5-MERCAPTO-1,3,4-THIAZOLETHIONE POTASSIUM SALT is a chemical compound that belongs to the thiazolethione family. It is a potassium salt derivative of thiazolethione, which is a heterocyclic compound containing a five-membered ring with three carbon atoms, one sulfur atom, and one nitrogen atom. 3-PHENYL-5-MERCAPTO-1,3,4-THIAZOLETHIONE POTASSIUM SALT has a phenyl group attached to the thiazole ring and a thiol group (mercapto) at the 5th position. Thiazolethiones are known for their potential biological activities, including antimicrobial and antifungal properties. The potassium salt form of 3-PHENYL-5-MERCAPTO-1,3,4-THIAZOLETHIONE may be used in various chemical and biological applications, and its properties and applications may be further explored in research and development.

InChI:InChI=1/C8H6N2S3/c11-7-9-10(8(12)13-7)6-4-2-1-3-5-6/h1-5H,(H,9,11)

Upstream product

• 75-15-0 carbon disulfide 
• 100-63-0 phenylhydrazine 
• 123-75-1 pyrrolidine 
• 59166-38-0 trithiocarbonic acid bis-(4-phenyl-5-thioxo-4,5-dihydro-[1,3,4]thiadiazol-2-yl ester) 

Downstream Products

• 53174-11-1 5-(5-nitro-furan-2-ylmethylsulfanyl)-3-phenyl-3H-[1,3,4]thiadiazole-2-thione 
• 59166-39-1 bis-<4-phenyl-5-oxo-1,3,4-thiadiazolinyl-(2)> disulfide 
• 40591-70-6 bis-<4-phenyl-5-thion-1,3,4-thiadiazolinyl-(2)> disulfide 
• 76789-95-2 3-phenyl-[1,3,4]thiadiazolidine-2,5-dithione; cadmium-salt 

Relevant articles and documents

The structural chemistry of organotin derivatives of 5-mercapto-3-phenyl-1,3,4-thiadiazoline-2-thione: Supramolecular structures involving intermolecular Sn···S, N-H···S or S···S interactions

Seven new organotin complexes of 5-mercapto-3-phenyl-1,3,4-thiadiazoline-2-thione (I), RnSn(PhN2C2S3)4 - n [n = 1, R = Bu (1); n = 2, R = Ph (2), Bu (3), Me (4) and n = 3, R = Ph (5), Bu (6), Me (7)], along with the 4,4′-bipy and 4-PyNH2 adducts of 7, [Me3Sn(PhN2C2S3)] 2·(4,4′-bipy) (8) and [Me3Sn(4-PyNH2)2]+[PhN 2C2S3]- (9), respectively, have been synthesised. The coordination behaviour of I in 1-8 ranges from S(1) monodentate to S(1) + S(3) bidentate bridging, while the crystal structure of 9 contains the ligand as a non-bonded anion. The supramolecular structures of 2, 7 and 8 have been found to consist of 1-D molecular chains built up by Sn···S (7) or S···S (2,8) intermolecular linkages. Additionally, the 1-D polymers of 7 aggregate in 'ribbon'-type double chains through S···S interactions and further self-organise via Ph···Ph face-to-face π-stacking, leading to a 3-D network. Extended intermolecular N-H···S interactions in the crystal lattice of 9 link the molecules in a 3-D network.