beta-Alanine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl ester
Basic information
- CAS
19476-81-4- Standard SMILES
CCOC(=O)CCNC(=O)CSP(=S)(OCC)OCC- InChIKey
LZSNQFIVLHUVDL-UHFFFAOYSA-N- Molecular formula
- C11H22NO5PS2
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.06770143
Names & identifiers
- Preferred name
- beta-Alanine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl ester
- IUPAC
- ethyl 3-[(2-diethoxyphosphinothioylsulfanylacetyl)amino]propanoate
- English name
- N-[[(Diethoxyphosphinothioyl)thio]acetyl]-β-alanine ethyl ester
- Molecular formula
- C11H22NO5PS2
- Molecular weight
- 343.399841
Names & synonyms
19476-81-4BRN 2390343beta-Alanine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl esterDTXSID50173117N-(((Diethoxyphosphinothioyl)thio)acetyl)-beta-alanine ethyl esterbeta-Alanine, N-(mercaptoacetyl)-, ethyl ester, S-ester with O,O-diethyl phosphorodithioateN-(Mercaptoacetyl)-beta-alanine ethyl ester S-ester with O,O-diethyl phosphorodithioateN-[[(Diethoxyphosphinothioyl)thio]acetyl]-beta-alanine ethyl esterRefChem:328903DTXCID7095608ethyl 3-[(2-diethoxyphosphinothioylsulfanylacetyl)amino]propanoateethyl N-{[(diethoxyphosphorothioyl)sulfanyl]acetyl}-beta-alaninate
Show more names
N-[[(Diethoxyphosphinothioyl)thio]acetyl]-β-alanine ethyl ester
Database identifiers
- CAS
19476-81-4- PubChem CID
- 197982
- DTXSID
DTXSID50173117- Nikkaji
- J86.681D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 344
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Related reactions
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Compound notes
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