CAS No.30044-51-0,S-tert-Butylmercapto-L-cysteine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	30044-51-0
Name:	S-tert-Butylmercapto-L-cysteine
Article Data:	2

Formula:	C₇H₁₅NO₂S₂
Molecular Weight:	209.334
Synonyms:	Alanine,3-(tert-butyldithio)-, L- (8CI);S-tert-Butylthio-L-cysteine;
EINECS:	250-012-7
Density:	1.225 g/cm³
Melting Point:	177 °C (dec.)(lit.)
Boiling Point:	324.7 °C at 760 mmHg
Flash Point:	150.2 °C
Safety:	22-24/25
PSA:	113.92000
LogP:	2.27850

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Specification

The L-Alanine,3-[(1,1-dimethylethyl)dithio]-, with the CAS registry number 30044-51-0, is also known as NSC677546. It belongs to the product category of Amino Acids. Its EINECS registry number is 250-012-7. This chemical's molecular formula is C₇H₁₅NO₂S₂ and molecular weight is 209.3295. Its IUPAC name is called (2R)-2-amino-3-(tert-butyldisulfanyl)propanoic acid. When you are using this chemical, please be cautious about it. You should not breathe its dust and avoid contacting it with skin and eyes.

Physical properties of L-Alanine,3-[(1,1-dimethylethyl)dithio]-: (1)ACD/LogP: 2.73; (2)ACD/LogD (pH 5.5): 0.23; (3)ACD/LogD (pH 7.4): 0.18; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.31; (7)ACD/KOC (pH 7.4): 2.04; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.563; (12)Molar Refractivity: 55.49 cm³; (13)Molar Volume: 170.7 cm³; (14)Surface Tension: 50.5 dyne/cm; (15)Density: 1.225 g/cm³; (16)Flash Point: 150.2 °C; (17)Enthalpy of Vaporization: 62.3 kJ/mol; (18)Boiling Point: 324.7 °C at 760 mmHg; (19)Vapour Pressure: 4.9E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C([O-])[C@@H]([NH3+])CSSC(C)(C)C
(2)InChI: InChI=1/C7H15NO2S2/c1-7(2,3)12-11-4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1
(3)InChIKey: TWMBHZTWEDJDRC-YFKPBYRVBC