ChemicalBook--->CAS DataBase List--->96-53-7

96-53-7

96-53-7 Structure

96-53-7 Structure
IdentificationMore
[Name]

2-Mercaptothiazoline
[CAS]

96-53-7
[Synonyms]

2-MERCAPTO-2-THIAZOLINE
2-MERCAPTOTHIAZOLINE
2-THIAZOLIDINETHIONE
2-THIAZOLINE-2-THIOL
1,3-Thiazolidine-2-thione
2(3H)-Thiazolethione, 4,5-dihydro-
2-Merapto-2-thiazoline
2-Mercapto-delta2-thiazoline
2-Thiazolidenethione
2-Thiothiazolidone
2-Thiozolidinethione
4,5-Dihydro-2-mercaptothiazole
4,5-Dihydro-thiazole-2-thiol
Metabasal
sancelent2mt
Tetrahydrothiazole-2-thione
Tetrahydrothiazolylthione
Thiazolidin-2-thione
Thiazolidine-2-thione
Thiazoline-2-thiol
[EINECS(EC#)]

202-512-1
[Molecular Formula]

C3H5NS2
[MDL Number]

MFCD00126013
[Molecular Weight]

119.21
[MOL File]

96-53-7.mol
Chemical PropertiesBack Directory
[Appearance]

white to beige fine crystalline powder
[Melting point ]

100-105 °C(lit.)
[Boiling point ]

176-178 °C(Press: 0.25 Torr)
[density ]

1.235 (estimate)
[refractive index ]

1.4826 (estimate)
[storage temp. ]

Store below +30°C.
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Fine Crystalline Powder
[pka]

13.01±0.20(Predicted)
[color ]

White to beige
[PH]

6-7 (10g/l, H2O, 20℃)
[Water Solubility ]

SOLUBLE IN HOT WATER
[Detection Methods]

GC,NMR
[BRN ]

106332
[InChI]

1S/C3H5NS2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)
[InChIKey]

WGJCBBASTRWVJL-UHFFFAOYSA-N
[SMILES]

S=C1NCCS1
[CAS DataBase Reference]

96-53-7(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Thiazolidinethione(96-53-7)
[EPA Substance Registry System]

96-53-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301
[Precautionary statements ]

P301+P310
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

XJ6122000
[TSCA ]

Yes
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29341000
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
[Toxicity]

LD50 orally in Rabbit: 300 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Monoethanolamine
[Preparation Products]

(3S,4R)-4-Acetoxy-3-[(R)-1-(tert-butyldimethylsilyloxy)ethyl]azetidin-2-one-->3-Aminopropyldimethylethoxysilane-->2-(Methylthio)-2-thiazoline-->3-Pivaloylthiazolidine-2-thion-->2-Thioxo-3-thiazolidinecarboxylic acid benzyl ester
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Mercaptothiazoline(96-53-7).msds
Hazard InformationBack Directory
[Chemical Properties]

white to beige fine crystalline powder
[Uses]

2-Mercaptothiazoline is an antithyroid agent that strongly reduces thyroid hormone levels. 2-Mercaptothiazoline is also used as an intermediate in the preparation of pesticides and other biologically active compounds.
[Uses]

medicament.;medical agent; brightening agent
[Purification Methods]

Purify the thiol by dissolution in aqueous alkali, precipitation by addition of HCl and then recrystallisation from H2O (as needles). [IR: Flett J Chem Soc 347 1953 and Mecke et al. Chem Ber 90 975, Gabriel & Stelzner Chem Ber 28 2931 1895, Beilstein 27 III/IV 2540.]
Spectrum DetailBack Directory
[Spectrum Detail]

2-Mercaptothiazoline(96-53-7)MS
2-Mercaptothiazoline(96-53-7)1HNMR
2-Mercaptothiazoline(96-53-7)13CNMR
2-Mercaptothiazoline(96-53-7)IR1
2-Mercaptothiazoline(96-53-7)IR2
2-Mercaptothiazoline(96-53-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Mercaptothiazoline, 98%(96-53-7)
[Alfa Aesar]

2-Mercaptothiazoline, 97%(96-53-7)
[Sigma Aldrich]

96-53-7(sigmaaldrich)
[TCI AMERICA]

2-Mercaptothiazoline,>98.0%(T)(96-53-7)
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