CAS No.4134-56-9,S-Butyl-D-cysteine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4134-56-9
Name:	S-Butyl-D-cysteine
Article Data:	11

Formula:	C₇H₁₅NO₂S
Molecular Weight:	177.2645
Synonyms:	Alanine,3-(butylthio)-, L- (8CI);S-(n-Butyl)-L-cysteine;S-Butyl-L-cysteine;S-Butylcysteine;
Density:	1.092 g/cm³
Boiling Point:	267.6 °C at 760 mmHg
Flash Point:	115.6 °C
PSA:	88.62000
LogP:	1.63190

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Specification

The S-Butyl-D-cysteine, with the cas registry number 4134-56-9, has the systematic name of N-(1-methylpropyl)-L-cysteine. It belongs to the category of Amino Acids. And the molecular formula of the chemical is C₇H₁₅NO₂S.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.62; (4)ACD/LogD (pH 7.4): -0.63; (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: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 54.84 Å²; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 47.45 cm³; (15)Molar Volume: 162.3 cm³; (16)Polarizability: 18.81×10^-24cm³; (17)Surface Tension: 39.5 dyne/cm; (18)Density: 1.092 g/cm³; (19)Flash Point: 115.6 °C; (20)Enthalpy of Vaporization: 55.65 kJ/mol; (21)Boiling Point: 267.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00232 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(CC)C)CS
(2)InChI: InChI=1/C7H15NO2S/c1-3-5(2)8-6(4-11)7(9)10/h5-6,8,11H,3-4H2,1-2H3,(H,9,10)/t5?,6-/m0/s1
(3)InChIKey: KSUIQWYMBPYNDQ-GDVGLLTNBQ