2-Mercaptobutyric acid supplier

Name
2-Mercaptobutyric acid
EINECS
CAS No. 26473-48-3
Article Data11
CAS DataBase
Density 1.159 g/cm³
Solubility
Melting Point
Formula C₄H₈O₂S
Boiling Point 224.4 °C at 760 mmHg
Molecular Weight 120.172
Flash Point 89.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butyricacid, 2-mercapto- (7CI,8CI);2-Mercaptobutyric acid;a-Mercaptobutyric acid;butanoic acid, 2-mercapto-;Ethyl mercaptoacetic acid;
PSA 37.30000
LogP 1.24450

2-Mercaptobutyric acid Specification

The 2-Mercaptobutyric acid, with the CAS registry number 26473-48-3, has the systematic name of Ethyl mercaptoacetic acid. And the molecular formula of the chemical is C₄H₈O₂S.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -3; (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: 3; (12)Polar Surface Area: 76.1 Å²; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 30 cm³; (15)Molar Volume: 103.613 cm³; (16)Polarizability: 11.893×10^-24cm³; (17)Surface Tension: 41.09 dyne/cm; (18)Density: 1.16 g/cm³; (19)Flash Point: 89.506 °C; (20)Enthalpy of Vaporization: 50.776 kJ/mol; (21)Boiling Point: 224.387 °C at 760 mmHg; (22)Vapour Pressure: 0.034 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C(S)CC
(2)InChI: InChI=1/C4H8O2S/c1-2-3(7)4(5)6/h3,7H,2H2,1H3,(H,5,6)
(3)InChIKey: CFPHMAVQAJGVPV-UHFFFAOYAN

Product Name

2-Mercaptobutyric acid

2-Mercaptobutyric acid Specification

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