Alanine, 3-ethylthiocarbamoyl-, L-
Basic information
- CAS
4909-58-4- Standard SMILES
CCSNC(=O)CC(N)C(=O)O- InChIKey
FDEOPFSXGJBPRR-BYPYZUCNSA-N- Molecular formula
- C6H12N2O3S
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.05686342
Names & identifiers
- Preferred name
- Alanine, 3-ethylthiocarbamoyl-, L-
- IUPAC
- 2-amino-4-(ethylsulfanylamino)-4-oxobutanoic acid
- English name
- H-Cys(ethylcarbamoyl)-OH
- Molecular formula
- C6H12N2O3S
- Molecular weight
- 192.24
Names & synonyms
Ethyl-sccALANINE, 3-ETHYLTHIOCARBAMOYL-, L-4909-58-4S-Ethylcarbamoyl-L-cysteineBRN 2329278L-Cysteine, ethylcarbamate (ester)RefChem:317976635-272-52-amino-4-(ethylsulfanylamino)-4-oxobutanoic acidH-CYS(ETHYLCARBAMOYL)-OHDTXSID009641584-[(Ethylsulfanyl)imino]homoserine
Show more names
Ethyl SCCS-(ETHYLCARBAMOYL)-L-CYSTEINE,98%L-Cysteine, S-[(ethylamino)carbonyl]-
Database identifiers
- CAS
4909-58-4- PubChem CID
- 21016
- DTXSID
DTXSID00964158- EC Number
- 635-272-5
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 219 °C · 219 °C
- Density
- 1.315 · 1.315±0.06 g/cm3(Predicted)
- pka
- 1.97 · 1.97±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H317-H315
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H317-H315
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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Related reactions
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Compound notes
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