Phthalylsulfathiazole supplier

Name
Phthalylsulfathiazole
EINECS 201-627-4
CAS No. 85-73-4
Density 1.597 g/cm³
Solubility slightly soluble in ethanol, hardly soluble in water and chloroform
Melting Point 198-204 °C
Formula C₁₇H₁₃N₃O₅S₂
Boiling Point 579oC at 760 mmHg
Molecular Weight 403.439
Flash Point 304oC
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phthalanilicacid, 4'-(2-thiazolylsulfamoyl)- (8CI);(o-Carboxybenzoyl)-p-aminophenylsulfonamidothiazole;2-(N4-Phthalylaminobenzenesulfonamide)thiazole;2-(N4-Phthalylsulfanilamido)thiazole;4'-(2-Thiazolylsulfamoyl)phthalanilicacid;4'-(2-Thiazolylsulfamyl)phthalanilic acid;AFI-Ftalyl;Cremothalidine;Enteramida;Entero-sulfina;Entexidina;Ftalazol;Ftalil-Esteve;Ftalil-Septol;Ftalysept;Intestiazol;NSC 66454;NSC 683525;Phtalazol;Phthalazol;Phthalidin;Sulfacetil;Sulfathalidine;Sulftalyl;Taleudron;Taloudron;Thalistanin;2-[[[4-[(2-Thiazolylamino)sulfonyl]phenyl]amino]carbonyl]benzoic acid;
PSA 162.08000
LogP 4.12120

Phthalylsulfathiazole Consensus Reports

Reported in EPA TSCA Inventory.

Phthalylsulfathiazole Specification

The Phthalylsulfathiazole, with the CAS registry number 85-73-4, is also known as 2-[[[4-[(2-Thiazolylamino)sulfonyl]phenyl]amino]carbonyl]benzoic acid. Its EINECS number is 201-627-4. This chemical's molecular formula is C₁₇H₁₃N₃O₅S₂ and molecular weight is 403.43. What's more, its systematic name is 2-{[4-(1,3-Thiazol-2-ylsulfamoyl)phenyl]carbamoyl}benzoic acid. Its classification code is Drug / Therapeutic Agent. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from light. This chemcial belongs to the group of drugs called sulfonamides. The drug is a broad spectrum antimicrobial that can treat different types of infections including intestinal.

Physical properties of Phthalylsulfathiazole are: (1)ACD/LogP: 0.801; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.38; (4)ACD/LogD (pH 7.4): -2.73; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 162.08 Å²; (13)Index of Refraction: 1.715; (14)Molar Refractivity: 99.253 cm³; (15)Molar Volume: 252.655 cm³; (16)Polarizability: 39.347×10^-24cm³; (17)Surface Tension: 87.1 dyne/cm; (18)Density: 1.597 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Nc1nccs1)c3ccc(NC(=O)c2ccccc2C(=O)O)cc3
(2)Std. InChI: InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)
(3)Std. InChIKey: PBMSWVPMRUJMPE-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD	oral	> 10gm/kg (10000mg/kg)	Journal of Pharmacology and Experimental Therapeutics. Vol. 81, Pg. 116, 1944.
mouse	LD50	intraperitoneal	920mg/kg (920mg/kg)	Journal of Pharmacology and Experimental Therapeutics. Vol. 81, Pg. 116, 1944.
rat	LD	unreported	> 10gm/kg (10000mg/kg)	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 58(12), Pg. 9, 1993.

Product Name

Phthalylsulfathiazole

Phthalylsulfathiazole Consensus Reports

Phthalylsulfathiazole Specification

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