Propanoic acid,2-(methylthio)- supplier

Name
2-(methylthio)propionic acid
EINECS 261-450-3
CAS No. 58809-73-7
Article Data15
CAS DataBase
Density 1.16 g/cm³
Solubility
Melting Point
Formula C₄H₈O₂S
Boiling Point 218.7 °C at 760 mmHg
Molecular Weight 120.172
Flash Point 86.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Methylthio)propionic acid;S-Methylthiolactic acid;
PSA 62.60000
LogP 0.82250

Propanoic acid,2-(methylthio)- Specification

The CAS registry number of Propanoic acid,2-(methylthio)- is 58809-73-7. This chemical is also named as 2-(Methylthio)propanoic acid. Its EINECS registry number is 261-450-3. In addition, its molecular formula is C₄H₈O₂S and molecular weight is 120.17012. Its IUPAC name is called 2-methylsulfanylpropanoic acid.

Physical properties about Propanoic acid,2-(methylthio)- are: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.12; (4)ACD/LogD (pH 7.4): -2.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.04; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.493; (13)Molar Refractivity: 30.1 cm³; (14)Molar Volume: 103.5 cm³; (15)Surface Tension: 40.4 dyne/cm; (16)Density: 1.16 g/cm³; (17)Flash Point: 86.1 °C; (18)Enthalpy of Vaporization: 50.14 kJ/mol; (19)Boiling Point: 218.7 °C at 760 mmHg; (20)Vapour Pressure: 0.047 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(SC)C
(2)InChI: InChI=1/C4H8O2S/c1-3(7-2)4(5)6/h3H,1-2H3,(H,5,6)
(3)InChIKey: SBJPKUSFMZKDRZ-UHFFFAOYAZ

Product Name

2-(methylthio)propionic acid

Propanoic acid,2-(methylthio)- Specification

Related Products

Hot Products