Basic information
- CAS
101329-93-5- Standard SMILES
CN(C)CCOC(=O)C1(Sc2ccccc2)CCCC1.O=C(O)C(=O)O- InChIKey
XEOQSJRVIAKPIP-UHFFFAOYSA-N- Molecular formula
- C18H25NO6S
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.14025869
Names & identifiers
- Preferred name
- Cyclopentanecarboxylic acid, 1-(phenylthio)-, 2-(dimethylamino)ethyl ester, ethanedioate (1:1)
- IUPAC
- 2-(dimethylamino)ethyl 1-phenylsulfanylcyclopentane-1-carboxylate;oxalic acid
- English name
- 1-(Phenylthio)cyclopentanecarboxylic acid 2-(dimethylamino)ethyl ester oxalate
- Molecular formula
- C18H25NO6S
- Molecular weight
- 0
Names & synonyms
101329-93-51-(Phenylthio)cyclopentanecarboxylic acid 2-(dimethylamino)ethyl ester oxalateCyclopentanecarboxylic acid, 1-(phenylthio)-, 2-(dimethylamino)ethyl ester, ethanedioate (1:1)DTXSID40143849RefChem:335937DTXCID30663402-(dimethylamino)ethyl 1-phenylsulfanylcyclopentane-1-carboxylate;oxalic acid1-(Phenylthio)cyclopentanecarboxylic acid 2-(dimethylamino)ethyl ester oxalateOxalic acid--2-(dimethylamino)ethyl 1-(phenylsulfanyl)cyclopentane-1-carboxylate (1/1)2-(dimethylamino)ethyl 1-phenylsulfanylcyclopentane-1-carboxylate
Database identifiers
- CAS
101329-93-5- PubChem CID
- 3063643
- DTXSID
DTXSID40143849
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 379
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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