Basic information
- CAS
17795-24-3- Standard SMILES
CCCS(=O)C[C@H](N)C(=O)O- InChIKey
JZKMSAGUCSIIAH-ITZCMCNPSA-N- Molecular formula
- C6H13NO3S
- Average molar mass
- 179.24 g/mol
- Monoisotopic mass
- 179.06161445
Overview
(2R)-2-amino-3-(propane-1-sulfinyl)propanoic acid has been reported in Allium ursinum, Allium ampeloprasum, and other organisms with data available.
Names & identifiers
- Preferred name
- S-propyl-L-cysteine sulfoxide
- IUPAC
- (2R)-2-amino-3-propylsulfinylpropanoic acid
- English name
- 3-(propylsulphinyl)-L-alanine
- Molecular formula
- C6H13NO3S
- Molecular weight
- 179.24
Names & synonyms
17795-24-33-(Propylsulphinyl)-L-alanineS-propyl-L-cysteine sulfoxide(2R)-2-amino-3-propylsulfinylpropanoic acidHGA6J86U26NSC-513365RefChem:1098272241-772-0propiin(2R)-2-Amino-3-(propylsulfinyl)propanoic acidL-Cysteine, S-propyl-, S-oxide(2R)-2-AMINO-3-(PROPANE-1-SULFINYL)PROPANOIC ACID
Show more names
S-n-Propyl-L-cysteine sulfoxide(2R)-2-amino-3-propylsulfinylpropanoicaciPropyl[(R)-2-amino-2-carboxyethyl] sulfoxide
MFCD030937293-(propylsulfinyl)-l-alanineS-Propylcysteine sulfoxideL-Cysteine, S-propyl-,S-oxideEINECS 241-772-0propyl cysteine sulfoxideS- Propylcystein-S-oxidH-Cys(Pr)-OH Sulfoxide
Database identifiers
- CAS
17795-24-3- PubChem CID
- 87309
- UNII
- HGA6J86U26
- EC Number
- 241-772-0
- Nikkaji
- J1.776.388A、J287.154H
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 161 · 161-162 °C (decomp)
- Boiling point
- 412.7 · 412.7±40.0 °C(Predicted)
- Density
- 1.32 · 1.320±0.06 g/cm3(Predicted)
- pka
- 1.91 · 1.91±0.10(Predicted)
- FDA UNII
- 6 J86U26 · HGA6J86U26
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers20 total
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海亚兴生物医药科技有限公司021-58956006,021-58950017 15800617331 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
山东崇成能源科技有限公司18253333366 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
天津市敬业精细化工有限公司18202564928 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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