CAS No.2481-09-6,S-tert-Butyl-L-cysteine hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2481-09-6
Name:	S-tert-Butyl-L-cysteine hydrochloride

Formula:	C₇H₁₆ClNO₂S
Molecular Weight:	213.729
Synonyms:	H-Cys(tBu)-OH·HCl;Alanine,3-(tert-butylthio)-, hydrochloride (7CI);Alanine, 3-(tert-butylthio)-,hydrochloride, L- (8CI);L-Cysteine, S-(1,1-dimethylethyl)-, hydrochloride(9CI);
Density:	1.13g/cm3
Melting Point:	203-204 °C
Boiling Point:	293.5 °C at 760 mmHg
Flash Point:	131.3 °C
PSA:	88.62000
LogP:	2.43230

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Specification

The L-Cysteine,S-(1,1-dimethylethyl)-, hydrochloride (1:1), with the CAS registry number 2481-09-6, is also known as S-tert-Butyl-L-cysteine hydrochloride. It belongs to the product categories of Cysteine [Cys, C]; Amino Acids and Derivatives; Amino hydrochloride; A - H;Amino Acids; Modified Amino Acids. This chemical's molecular formula is C₇H₁₆ClNO₂S and molecular weight is 213.73. What's more, its IUPAC name is 2-Amino-3-tert-butylsulfanylpropanoic acid hydrochloride and systematic name is called (1R)-2-(tert-Butylsulfanyl)-1-carboxyethanaminium chloride.

Physical properties about L-Cysteine,S-(1,1-dimethylethyl)-, hydrochloride (1:1) are: (1).ACD/LogP: 1.61; (2) # of Rule of 5 Violations: 0; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5) ACD/KOC (pH 5.5): 1; (6) ACD/KOC (pH 7.4): 1; (7) #H bond acceptors: 3; (8) #H bond donors: 3; (9)#Freely Rotating Bonds: 5; (10) Polar Surface Area: 51.6 Å²; (11) Flash Point: 131.3 °C; (12) Enthalpy of Vaporization: 58.65 kJ/mol; (13) Boiling Point: 293.5 °C at 760 mmHg; (14) Vapour Pressure: 0.000421 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].O=C(O)[C@@H]([NH3+])CSC(C)(C)C
(2) InChI: InChI=1/C7H15NO2S.ClH/c1-7(2,3)11-4-5(8)6(9)10;/h5H,4,8H2,1-3H3,(H,9,10);1H/t5-;/m0./s1
(3) InChIKey: MHBMYFJKEBCMDR-JEDNCBNOBI