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Thionalide

HCID 66733
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
93-42-5
Standard SMILES
O=C(CS)Nc1ccc2ccccc2c1
InChIKey
SGMHGVVTMOGJMX-UHFFFAOYSA-N
Molecular formula
C12H11NOS
Average molar mass
217.29 g/mol
Monoisotopic mass
217.05613515

Overview

complexes with methylmercury cpds; transports these cpds from liver to bile

Names & identifiers

Preferred name
Thionalide
IUPAC
N-naphthalen-2-yl-2-sulfanylacetamide
English name
Thionalide
Molecular formula
C12H11NOS
Molecular weight
217.29

Names & synonyms

Thionalide93-42-5ThiolanilideThionalid2-Mercapto-N-2-naphthylacetamideAcetamide, 2-mercapto-N-2-naphthyl-Thioglycolic-beta-aminonaphthalide5M3H598CDMNSC-7327DTXSID50239222RefChem:897852DTXCID70161713
Show more names
Thiolglycolic-β-aminonaphthalideThionalide [for Cu Determination]2-Mercapto-N-(2-naphtyl)acetamideALPHA-MERCAPTO-N,2-NAPHTHYLACETAMIDEN-(2-Naphthalenyl)-2-mercaptoacetamideN-naphthalen-2-yl-2-sulfanyl-ethanamide
202-245-0N-2-Naphthyl-mercaptoacetamideN-naphthalen-2-yl-2-sulfanylacetamideNSC 7327Acetamide, 2-mercapto-N-2-naphthalenyl-Thioglycolic-.beta.-aminonaphthalideN-(naphthalen-2-yl)-2-sulfanylacetamideMLS000736570

Database identifiers

CAS
93-42-5
PubChem CID
66733
DTXSID
DTXSID50239222
ChEMBL
CHEMBL1369173

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
30.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
232

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Naphthalenes
Physical DescriptionWhite to ivory-colored solid; [Merck Index] White crystalline powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
111 · 111-112°
Density
1.1799 · 1.1799 (rough estimate)
refractive index
1.6 · 1.6000 (estimate)
solubility
Sparingly soluble in water, readily soluble in organic solvents. The solubility in water is considerably increased by addition of relatively small amounts of ethanol or acetic acid.
form
White or pale yellow needles.
FDA UNII
5 M3H598CDM · 5M3H598CDM
Symbol(GHS)
7 · GHS07,GHS05,GHS09
Signal word
Danger
Hazard statements
335 · H335-H411-H318-H315

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryAn irritant; Harmful by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS07,GHS05,GHS09
Hazard statements
H335-H411-H318-H315
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310

Chemistry & industry

Uses & manufacturing

UsesUsed as a reagent for copper, mercury, silver, thallium, and bismuth; [Merck Index]
Applications · 2 items

UsesThionalide reacts with a variety of metal ions to give chelate complexes which are sparingly soluble in water. The difference in stability of complexes formed by the reagent with various metal ions in some cases assures a certain analytical selectivity. 1. Copper(II), silver(I), mercury(II), bismuth(III), arsenic(III), tin(IV), gold(I), platinum(IV) and palladium(II) give precipitates with the reagent in acidic media (mineral acids). 2. The copper(II), mercury(II), cadmium(II), thallium(I) and gold(I) complexes precipitate from alkaline solutions containing tartrate. 3. Thallium(I), antimony(III) and bismuth(III) complexes are precipitated by the reagent from solutions containing cyanide and tartrate. 4. The thallium(I) complex also precipitates from alkaline (sodium hydroxide) solution containing cyanide and tartrate. The above classification shows that the reaction can be made specific for thallium by appropriate choice of the pH of the solution and application of suitable masking agents. Similarly, the selectivity of the precipitation reaction can be increased for other ions too, by application of other masking agents. For instance, tin(IV) can be masked selectively in the presence of arsenic(III) and antimony(III) with phosphoric acid, while these latter two ions can be precipitated with thionalide. The analytical application of thionalide is stimulated by the fact that its metal complexes are of stoichiometric composition, and can be dried at 105-110°C and weighed directly. The reagent may also be utilized in volumetric analytical procedures. The thionalide content, which is equivalent to the metal to be determined, can be titrated directly iodometrically, according to the equation: 2C10H7-NH-CO-CH2-SH+I2=C10H7-NH-CO-CH2-S-S-CH2-CO-NH-C10H7+2HI.

UsesAs a reagent for copper, mercury, silver, thallium, and bismuth.

Suppliers5 total

陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
UNII
5M3H598CDM
EC Number
202-245-0
Nikkaji
J4.675B
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]