CAS No.1115-93-1,S-Propylcysteine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1115-93-1
Name:	S-Propylcysteine
Article Data:	19

Formula:	C₆H₁₃NO₂S
Molecular Weight:	163.241
Synonyms:	Alanine,3-(propylthio)-, L- (8CI);3-(Propylthio)-L-alanine;S-(n-Propyl)-L-cysteine;
Density:	1.164 g/cm³
Boiling Point:	294.748 °C at 760 mmHg
Flash Point:	132.059 °C
PSA:	88.62000
LogP:	1.24180

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Specification

The S-Propyl-L-cysteine, with the CAS registry number 1115-93-1, is also known as 3-(Propylthio)-L-alanine. This chemical's molecular formula is C₆H₁₃NO₂S and molecular weight is 163.24. What's more, its systematic name is S-Propyl-L-cysteine.

Physical properties of S-Propyl-L-cysteine are: (1)ACD/LogP: 1.116; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.38; (4)ACD/LogD (pH 7.4): -1.41; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 88.62 Å²; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 42.902 cm³; (15)Molar Volume: 140.225 cm³; (16)Polarizability: 17.008×10^-24cm³; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.164 g/cm³; (19)Flash Point: 132.059 °C; (20)Enthalpy of Vaporization: 58.791 kJ/mol; (21)Boiling Point: 294.748 °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=C(O)[C@@H](N)CSCCC
(2)Std. InChI: InChI=1S/C6H13NO2S/c1-2-3-10-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
(3)Std. InChIKey: WAAGBMYUYFBZIW-YFKPBYRVSA-N