Basic information
- CAS
13073-35-3- Standard SMILES
CCSCC[C@H]([NH3+])C(=O)[O-]- InChIKey
GGLZPLKKBSSKCX-YFKPBYRVSA-N- Molecular formula
- C6H13NO2S
- Average molar mass
- 163.24 g/mol
- Monoisotopic mass
- 163.06669983
Overview
See also: L-Ethionine (preferred).
Names & identifiers
- Preferred name
- (2S)-2-azaniumyl-4-ethylsulfanylbutanoate
- IUPAC
- (2S)-2-azaniumyl-4-ethylsulfanylbutanoate
- English name
- L-Ethionine
- Molecular formula
- C6H13NO2S
- Molecular weight
- 163.24
Names & synonyms
S-ethyl-L-homocysteineH-ETH-OHNsc82393L-Ethioninel-butyricaciL-Ethionine>L-ETHIONINE 98+%L -ETHIONINE 99%s-ethyl-homocysteinL-Ethionine
Database identifiers
- CAS
13073-35-3- PubChem CID
- 6992071
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- Melting point
- 280 °C · 280 °C (dec.)(lit.)
- alpha
- 24 · D24 +25.1°; D23 +20.1° (1N HCl) (Armstrong, Lewis)
- Density
- 1.085 · 1.085 (estimate)
- refractive index
- 22 ° · 22 ° (C=1, 1mol/L HCl)
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- solubility
- Aqueous Acid (Slightly), Water (Slightly)
- form
- solid
- Boiling point
- 310.4 · 310.4±37.0 °C(Predicted)
- pka
- 2.23 · 2.23±0.10(Predicted)
- color
- White to Off-White
- optical activity
- 22.068 ° · 22.068°(C=0.01g/ml 1N HCL)
- Merck
- 14 · 14,3738
- InChI
- 1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
- InChIKey
- GGLZPLKKBSSKCX-YFKPBYRVSA-N
- SMILES
- CCSCC[C@H](N)C(O)=O
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- ES6825300
- hs_code
- 2930.90.4950
- Toxicity
- rat,LD,intraperitoneal,> 1gm/kg (1000mg/kg),LIVER: OTHER CHANGESLIVER: CHANGES IN LIVER WEIGHT,Acta Pathologica Japonica. Vol. 39, Pg. 281, 1989.
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
- Hazardous Substances Data
- 13073-35-3(Hazardous Substances Data)
Chemistry & industry
Applications
UsesEthionine-induced inhibition of protein synthesis and lowering of ATP level in the liver.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers67 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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