CAS No.17795-24-3,3-(propylsulphinyl)-L-alanine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17795-24-3
Name:	3-(propylsulphinyl)-L-alanine
Article Data:	8

Formula:	C₆H₁₃NO₃S
Molecular Weight:	179.24
Synonyms:	Alanine,3-(propylsulfinyl)-, L- (8CI);L-Alanine, 3-(propylsulfinyl)- (9CI);NSC513365;Propyl cysteine sulfoxide;S-Propyl-L-cysteine sulfoxide;S-Propyl-L-cysteine sulphoxide;
EINECS:	241-772-0
Density:	1.32 g/cm³
Melting Point:	161-162 °C (decomp)
Boiling Point:	412.715 °C at 760 mmHg
Flash Point:	203.403 °C
PSA:	99.60000
LogP:	1.12300

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Specification

The 3-(Propylsulphinyl)-L-alanine, with the CAS registry number 17795-24-3, is also known as S-Propyl-L-cysteine sulfoxide. Its EINECS number is 241-772-0. This chemical's molecular formula is C₆H₁₃NO₃S and molecular weight is 179.24. What's more, its systematic name is 3-(Propylsulfinyl)-L-alanine.

Physical properties of 3-(Propylsulphinyl)-L-alanine are: (1)ACD/LogP: -0.513; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.00; (4)ACD/LogD (pH 7.4): -3.13; (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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 99.6 Å²; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 43.767 cm³; (15)Molar Volume: 135.759 cm³; (16)Polarizability: 17.351×10^-24cm³; (17)Surface Tension: 68.1 dyne/cm; (18)Density: 1.32 g/cm³; (19)Flash Point: 203.403 °C; (20)Enthalpy of Vaporization: 72.999 kJ/mol; (21)Boiling Point: 412.715 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(CCC)C[C@@H](C(=O)O)N
(2)Std. InChI: InChI=1S/C6H13NO3S/c1-2-3-11(10)4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-,11?/m0/s1
(3)Std. InChIKey: JZKMSAGUCSIIAH-ITZCMCNPSA-N