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| CAS No.: | 535-32-0 |
|---|---|
| Name: | D-ETHIONINE |
| Molecular Structure: | |
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| 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 |
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S-benzyl-D-homocysteine
- 535-32-0
D-Ethionine
| Conditions | Yield |
|---|---|
| With ammonia; sodium dann Einwirkung von Aethylbromid; |
- 535-32-0
D-Ethionine
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
- 535-32-0
D-Ethionine
- 36506-17-9
4-ethylsulfanyl-2-oxo-butyric acid
| Conditions | Yield |
|---|---|
| With D-amino acid:oxygen-oxidoreduktase |
- 535-32-0
D-Ethionine
- 85803-42-5
D-Ethioninol
| Conditions | Yield |
|---|---|
| With borane-THF; boron trifluoride diethyl etherate In tetrahydrofuran for 12h; Ambient temperature; Yield given; |
| 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 | 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
| 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 |
- Total:35 Page 1 of 1 1
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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 |