Basic information
- Standard SMILES
COC(=O)C(N)CS- InChIKey
MCYHPZGUONZRGO-UHFFFAOYSA-N- Molecular formula
- C4H9NO2S
- Average molar mass
- 135.19 g/mol
Overview
See also: L-Cysteine, methyl ester (annotation moved to).
Names & identifiers
- Preferred name
- Methyl DL-cysteinate
- IUPAC
- methyl 2-amino-3-sulfanylpropanoate
Names & synonyms
Methyl DL-cysteinateEINECS 256-161-4RefChem:817730256-161-4Methyl 2-amino-3-sulfanylpropanoate44641-43-2methyl cysteinatecysteinmethylesterSpectrum_000586Spectrum2_000014Spectrum3_000273Spectrum4_000399
Show more names
Spectrum5_001545SCHEMBL21034BSPBio_001746KBioGR_000957KBioSS_001066DivK1c_000071SPBio_000047SCHEMBL4810972
Database identifiers
- CAS
44641-43-2- PubChem CID
- 4040
- EC Number
- 256-161-4
- Nikkaji
- J342.921K
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 86.1
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Related reactions
7 records
Linked notes
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