Methyl 2-(2-amino-2-oxoethyl)-1,3-dithiolane-2-acetate
Basic information
- CAS
500364-54-5- Standard SMILES
COC(=O)CC1(CC(N)=O)SCCS1- InChIKey
JQGZTCFYFNUHKS-UHFFFAOYSA-N- Molecular formula
- C8H13NO3S2
- Average molar mass
- 235.3 g/mol
- Monoisotopic mass
- 235.03368562
Names & identifiers
- Preferred name
- Methyl 2-(2-amino-2-oxoethyl)-1,3-dithiolane-2-acetate
- IUPAC
- methyl 2-[2-(2-amino-2-oxoethyl)-1,3-dithiolan-2-yl]acetate
Names & synonyms
MLS002706809NSC118690CHEMBL1876842Methyl 2-(2-amino-2-oxoethyl)-1,3-dithiolane-2-acetateDTXSID501209957NSC-118690500364-54-5SMR001574208Methyl [2-(2-amino-2-oxoethyl)-1,3-dithiolan-2-yl]acetate
Database identifiers
- CAS
500364-54-5- PubChem CID
- 273448
- DTXSID
DTXSID501209957- ChEMBL
CHEMBL1876842
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 239
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Compound notes
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