Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
S-Methyl-L-cysteine sulfoxide |
EINECS | N/A |
CAS No. | 6853-87-8 | Density | 1.471 g/cm3 |
PSA | 99.60000 | LogP | 0.34280 |
Solubility | N/A | Melting Point |
169-170 °C |
Formula | C4H9NO3S | Boiling Point | 428.232 °C at 760 mmHg |
Molecular Weight | 151.186 | Flash Point | 212.787 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Alanine,3-(methylsulfinyl)-, L- (8CI);L-Alanine, 3-(methylsulfinyl)- (9CI);S-Methylcysteine S-oxide;S-Methylcysteine sulfoxide;SMCS;S-Methyl-L-cysteine sulfoxide; |
Article Data | 20 |
Conditions | Yield |
---|---|
With dihydrogen peroxide In water at 25℃; for 1h; | 87% |
With dihydrogen peroxide | 87% |
With hydrogenchloride; dihydrogen peroxide at 100℃; for 0.166667h; Oxidation; |
Conditions | Yield |
---|---|
With dihydrogen peroxide |
potassium tetrachloroplatinate(II)
methiin
Conditions | Yield |
---|---|
With HCl In water heating (40 min, water bath), cooling, 1M HCl addn., pptn.; washing (water, alcohol), drying (vacuum, P2O5), mechanical sepn. of diastereomers; elem. anal.; | A 30% B 30% |
methiin
3-((S)-imino-methyl-oxo-λ6-sulfanyl)-L-alanine
Conditions | Yield |
---|---|
With sodium azide; chloroform; sulfuric acid |
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In acetone |
Conditions | Yield |
---|---|
With nickel In water at 60℃; for 0.5h; Product distribution; desulfurization; |
methiin
S-methyl-L-cysteine sulfoximine
Conditions | Yield |
---|---|
With tris-(2-chloro-ethyl)-amine; sulfuric acid |
The S-Methyl-L-cysteine sulfoxide, with the CAS registry number 6853-87-8, is also known as S-Methylcysteine S-oxide. It belongs to the classification code of Mutation Data. This chemical's molecular formula is C4H9NO3S and molecular weight is 151.18. What's more, its systematic name is called Alanine, 3-(methylsulfinyl)-, L-, pyrolyzate.
Physical properties about S-Methyl-L-cysteine sulfoxide are: (1)ACD/LogP: -1.532; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.01; (4)ACD/LogD (pH 7.4): -4.40 ; (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: 4; (12)Polar Surface Area: 99.6 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 34.501 cm3; (15)Molar Volume: 102.746 cm3; (16)Polarizability: 13.677×10-24cm3; (17)Surface Tension: 83.338996887207 dyne/cm; (18)Density: 1.471 g/cm3; (19)Flash Point: 212.787 °C; (20)Enthalpy of Vaporization: 74.94 kJ/mol; (21)Boiling Point: 428.232 °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)CS(=O)C
(2) InChI: InChI=1S/C4H9NO3S/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-,9?/m1/s1
(3) InChIKey: ZZLHPCSGGOGHFW-ZMQIUWNVSA-N