CAS No.535-32-0,D-ETHIONINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	535-32-0
Name:	D-ETHIONINE

Formula:	C₆H₁₃NO₂S
Molecular Weight:	163.241
Synonyms:	Butyricacid, 2-amino-4-(ethylthio)-, D- (8CI);D-Ethionine;NSC 97927;
EINECS:	208-612-1
Density:	1.164 g/cm³
Melting Point:	278 °C (dec.)(lit.)
Boiling Point:	310.4 °C at 760 mmHg
Flash Point:	141.5 °C
Appearance:	white crystalline solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	88.62000
LogP:	1.24180

Synthetic route

: 13073-47-7
S-benzyl-D-homocysteine

: 535-32-0
D-Ethionine

Conditions

Conditions	Yield
With ammonia; sodium dann Einwirkung von Aethylbromid;

N-acetyl-S-ethyl-D-homocysteine: N-acetyl-S-ethyl-D-homocysteine

: 535-32-0
D-Ethionine

Conditions

Conditions	Yield
With hydrogenchloride

: 535-32-0
D-Ethionine

: 36506-17-9
4-ethylsulfanyl-2-oxo-butyric acid

Conditions

Conditions	Yield
With D-amino acid:oxygen-oxidoreduktase

: 535-32-0
D-Ethionine

: 85803-42-5
D-Ethioninol

Conditions

Conditions	Yield
With borane-THF; boron trifluoride diethyl etherate In tetrahydrofuran for 12h; Ambient temperature; Yield given;

: 535-32-0
D-Ethionine

: 79-22-1
methyl chloroformate

: N-methoxycarbonyl-D-ethionine

Conditions

Conditions	Yield
With sodium hydroxide at 0 - 20℃; pH=10.5;

: 535-32-0
D-Ethionine

: 475640-44-9
N-methoxycarbonyl-D-ethionine methyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aq. NaOH / 0 - 20 °C / pH 10.5 2: aq. HCl / 12 h / Heating View Scheme

: 535-32-0
D-Ethionine

: N-methoxycarbonyl-D-ethionine methyl ester sulfoxide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: aq. NaOH / 0 - 20 °C / pH 10.5 2: aq. HCl / 12 h / Heating 3: aq. H2O2 / methanol / -20 °C View Scheme

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Specification

This chemical is called D-Homocysteine, S-ethyl-, and it can also be named as (D)-Ethionine. With the molecular formula of C₆H₁₃NO₂S, its product categories are Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives. The CAS registry number of this chemical is 535-32-0. In addition, this chemical should be sealed in the cool and dry place.

Other characteristics of the D-Homocysteine, S-ethyl- can be summarised as followings: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.6; (4)ACD/LogD (pH 7.4): -1.6; (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: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 54.84 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 42.9 cm³; (15)Molar Volume: 140.2 cm³; (16)Polarizability: 17×10^-24cm³; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.164 g/cm³; (19)Flash Point: 141.5 °C; (20)Enthalpy of Vaporization: 60.62 kJ/mol; (21)Boiling Point: 310.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000133 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. It's possible to cause the cancer. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)[C@H](N)CCSCC
2.InChI: InChI=1/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1
3.InChIKey: GGLZPLKKBSSKCX-RXMQYKEDBZ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	185mg/kg (185mg/kg)	BLOOD: OTHER CHANGES	Cancer Letters Vol. 3, Pg. 71, 1977. Link to PubMed