CAS No.126-97-6,Ethanolamine thioglycolate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	126-97-6
Name:	Ethanolamine thioglycolate

Formula:	C₄H₁₁NO₃S
Molecular Weight:	153.20
Synonyms:	2-aminoethanol; 2-sulfanylacetic acid;Monoethanolamine thioglycolate;(2-Hydroxyethyl)ammonium mercaptoacetate;Mercaptoacetic acid, compd. with 2-aminoethanol (1:1);MEATG;Acetic acid, mercapto-, compd. with 2-aminoethanol (1:1);sulfanylacetic acid - 2-aminoethanol (1:1);2-aminoethanol; 2-sulfanylacetic acid;2-Hydroxyethanaminium sulfanylacetate;acetic acid, 2-mercapto-, compd. with 2-aminoethanol (1:1);Acetic acid, mercapto-, compd. with 2-aminoethanol (1:1);Sulfanylacetic acid - 2-aminoethanol (1:1);
EINECS:	204-815-4
Density:	1.249[at 20℃]
Boiling Point:	225.5 °C at 760 mmHg
Flash Point:	99.8 °C
Solubility:	1000g/L at 20℃
Appearance:	liquid
Hazard Symbols:	T
Risk Codes:	25-36/38
Safety:	26-45
PSA:	122.35000
LogP:	-0.36150

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Specification

The (2-Hydroxyethyl)ammonium mercaptoacetate, with the CAS registry number 126-97-6 and EINECS registry number 204-815-4, has the systematic name of sulfanylacetic acid - 2-aminoethanol (1:1). It is also called 2-aminoethanol; 2-sulfanylacetic acid. And the molecular formula of the chemical is C₄H₁₁NO₃S.

The characteristics of (2-Hydroxyethyl)ammonium mercaptoacetate are as followings: (1)ACD/LogP: 0.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -3.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.6 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.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CS.OCCN
(2)InChI: InChI=1/C2H7NO.C2H4O2S/c3-1-2-4;3-2(4)1-5/h4H,1-3H2;5H,1H2,(H,3,4)
(3)InChIKey: XTJCJAPNPGGFED-UHFFFAOYAQ