Valine,3-[[2-(4-pyridinyl)ethyl]thio]- supplier

Name
S-BETA-(4-PYRIDYLETHYL)-DL-PENICILLAMINE
EINECS 254-504-2
CAS No. 39555-40-3
Density 1.207 g/cm³
Solubility
Melting Point 208-213 °C (dec.)
Formula C₁₂H₁₈N₂O₂S
Boiling Point 444.3 °C at 760 mmHg
Molecular Weight 254.3485
Flash Point 222.5 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms DL-Valine,3-[[2-(4-pyridinyl)ethyl]thio]-;S-b-(4-Pyridylethyl)-DL-penicillamine;L-valine, 3-[[2-(4-pyridinyl)ethyl]thio]-;
PSA 101.51000
LogP 2.24810

Valine,3-[[2-(4-pyridinyl)ethyl]thio]- Specification

The CAS register number of Valine,3-[[2-(4-pyridinyl)ethyl]thio]- is 39555-40-3. It also can be called as L-valine, 3-[[2-(4-pyridinyl)ethyl]thio]- and the systematic name about this chemical is (2R)-2-amino-3-methyl-3-[2-(4-pyridyl)ethylsulfanyl]butanoic acid. The molecular formula about this chemical is C₁₂H₁₈N₂O₂S and the molecular weight is 254.35. When you are using it, please do not breathe dust and avoid contact with skin and eyes.

Physical properties about Valine,3-[[2-(4-pyridinyl)ethyl]thio]- are: (1)ACD/LogP: 1.75; (2)#H bond acceptors: 4; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 101.51Å²; (6)Index of Refraction: 1.579; (7)Molar Refractivity: 70.07 cm³; (8)Molar Volume: 210.7 cm³; (9)Polarizability: 27.78x10^-24cm³; (10)Surface Tension: 53.8 dyne/cm; (11)Flash Point: 222.5 °C; (12)Enthalpy of Vaporization: 73.99 kJ/mol; (13)Boiling Point: 444.3 °C at 760 mmHg; (14)Vapour Pressure: 1.13E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)[C@@H](N)C(C)(C)SCCc1ccncc1
(2)InChI: InChI=1/C12H18N2O2S/c1-12(2,10(13)11(15)16)17-8-5-9-3-6-14-7-4-9/h3-4,6-7,10H,5,8,13H2,1-2H3,(H,15,16)/t10-/m1/s1
(3)InChIKey: FTTQQYAWBJGECY-SNVBAGLBBG
(4)Std. InChI: InChI=1S/C12H18N2O2S/c1-12(2,10(13)11(15)16)17-8-5-9-3-6-14-7-4-9/h3-4,6-7,10H,5,8,13H2,1-2H3,(H,15,16)/t10-/m1/s1
(5)Std. InChIKey: FTTQQYAWBJGECY-SNVBAGLBSA-N

Product Name

S-BETA-(4-PYRIDYLETHYL)-DL-PENICILLAMINE

Valine,3-[[2-(4-pyridinyl)ethyl]thio]- Specification

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