D-Cysteine Methyl Ester Hydrochloride
Basic information
- CAS
70361-61-4- Standard SMILES
COC(=O)[C@H](N)CS.Cl- InChIKey
WHOHXJZQBJXAKL-AENDTGMFSA-N- Molecular formula
- C4H10ClNO2S
- Average molar mass
- 171.65 g/mol
- Monoisotopic mass
- 171.0120774
Names & identifiers
- Preferred name
- D-Cysteine Methyl Ester Hydrochloride
- IUPAC
- methyl (2S)-2-amino-3-sulfanylpropanoate;hydrochloride
- English name
- Methyl 2-amino-3-mercaptopropanoate hydrochloride
- Molecular formula
- C4H9NO2S.ClH
- Molecular weight
- 171.65
Names & synonyms
70361-61-4D-Cysteine Methyl Ester HydrochlorideRefChem:582698678-353-0methyl D-cysteinate hydrochlorideH-D-Cys-OMe.HClMFCD00672724(S)-Methyl 2-amino-3-mercaptopropanoate hydrochloride(S)-METHYL 2-AMINO-3-MERCAPTOPROPANOATE HCLH-D-Cys-OMe HClmethyl (2S)-2-amino-3-sulfanylpropanoate hydrochloride(S)-Cysteine methyl ester hydrochloride; Methyl D-cysteinate hydrochloride
Show more names
D<D-Cys-OMe·HClH-D-Cys-OMe.HCD-Cysteinemethylesterhy(S)-Cysteine methyl ester hydrochloridemethyl (2S)-2-amino-3-sulfanylpropanoateD-Cysteine Methyl Ester Hydrochloride >D-Cysteine Methyl Ester Hydrochloride (1:1)
D-Cysteine, methyl ester, hydrochlorideSCHEMBL1681697WHOHXJZQBJXAKL-AENDTGMFSA-NAKOS015845939CS-W020211DS-3179HY-W018865PD197033
Database identifiers
- CAS
70361-61-4- PubChem CID
- 637545
- EC Number
- 678-353-0
Properties
Computed structural properties
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 86.1
Physicochemical properties
- Melting point
- 143 °C · 143 °C
- refractive index
- 3 ° · 3 ° (C=20, MeOH)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- DMSO (Slightly), Water (Slightly)
- form
- powder to crystaline
- color
- White to Almost white
- Water Solubility
- almost transparency
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/38
- Safety Statements
- 26 · 26-28-36
- Hazard Note
- Irritant
- HS Code
- 29221990 · 29221990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29221990
- risk_code
- 36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-28-36
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
UsesD-Cysteine Methyl Ester is a protected form of D-Cysteine (C995020) which is a strong inhibitor of Escherichia coli growth and also functions to provide inorganic sulfates for the sulfation of xenobiotics. D-Cysteine is a non-physiological isomer of L-Cysteine (C995000), and is not involved in protein or glutathione synthesis.
Related reactions
5 records
Compound notes
Loading…