CAS No.5421-46-5,Ammonium thioglycolate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5421-46-5
Name:	Ammonium thioglycolate

Formula:	C₂H₇NO₂S
Molecular Weight:	109.149
Synonyms:	Aceticacid, mercapto-, monoammonium salt (8CI,9CI);Ammonium mercaptoacetate;Thiofaco A-50;Thioglycolicacid ammonium salt;
EINECS:	226-540-9
Density:	1.311g/cm3
Melting Point:	-10oC
Boiling Point:	225.5 °C at 760 mmHg
Flash Point:	99.8 °C
Solubility:	Miscible with water
Appearance:	Clear colorless solution with characteristic odor
Hazard Symbols:	T
Risk Codes:	25-43
Safety:	36/37-45-37-24
PSA:	78.93000
LogP:	-0.95770

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Ammonium thioglycolate, with the CAS registry number 5421-46-5, is also known as Ammonium mercaptoacetate. It belongs to the product category of Industrial/Fine Chemicals. Its EINECS number is 226-540-9. This chemical's molecular formula is C₂H₇NO₂S and molecular weight is 109.14. What's more, its systematic name is Ammonium sulfanylacetate. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light. It is a reagent for the determination of iron and it is used in pharmaceutical industry. It is also used as a setting lotion and nutrient solution in cosmetics. This chemical can be prepared by mercaptoacetic acid and ammonium bicarbonate by neutralization reaction.

Physical properties of Ammonium thioglycolate are: (1)ACD/LogP: 0.089; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.00; (4)ACD/LogD (pH 7.4): -3.47; (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: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.6 Å²; (13)Flash Point: 99.8 °C; (14)Enthalpy of Vaporization: 50.9 kJ/mol; (15)Boiling Point: 225.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0314 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)CS.[NH4+]
(2)Std. InChI: InChI=1S/C2H4O2S.H3N/c3-2(4)1-5;/h5H,1H2,(H,3,4);1H3
(3)Std. InChIKey: ZZTCCAPMZLDHFM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD50	intravenous	175mg/kg (175mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Journal of Pharmacology and Experimental Therapeutics. Vol. 97, Pg. 349, 1949.
mouse	LD50	intraperitoneal	100mg/kg (100mg/kg)		National Technical Information Service. Vol. AD277-689,
rabbit	LD50	intravenous	100mg/kg (100mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Journal of Pharmacology and Experimental Therapeutics. Vol. 97, Pg. 349, 1949.
rat	LD50	intraperitoneal	165mg/kg (165mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Journal of Pharmacology and Experimental Therapeutics. Vol. 97, Pg. 349, 1949.