Xenthiorate
Basic information
- CAS
7009-79-2- Standard SMILES
CCC(C(=O)SCCN(CC)CC)c1ccc(-c2ccccc2)cc1- InChIKey
PFNLUFYAGHJNKJ-UHFFFAOYSA-N- Molecular formula
- C22H29NOS
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.19698572
Names & identifiers
- Preferred name
- Xenthiorate
- IUPAC
- S-[2-(diethylamino)ethyl] 2-(4-phenylphenyl)butanethioate
- English name
- Xenthiorate
- Molecular formula
- C22H29NOS
- Molecular weight
- 355.543
Names & synonyms
Xenthiorate7009-79-2XenthioratumXenthioratoXenthiorate [INN]UNII-0PM0Q96HVS0PM0Q96HVSxentioratoS-2-Diethylaminoethyl 2-(4-biphenylyl)thiobutyrate(1,1'-Biphenyl)-4-ethanethioic acid, alpha-ethyl-, S-(2-(diethylamino)ethyl) ester4-Biphenylacetic acid, alpha-ethylthio-, S-(2-(diethylamino)ethyl) esterRefChem:195273
Show more names
2-(4-Biphenylyl)thiobutyric acid S-(2-diethylaminoethyl)2-(4-Biphenylyl)thiobutyric acid S-(2-diethylaminoethyl) ester
S-[2-(diethylamino)ethyl] 2-(4-phenylphenyl)butanethioateS-2-Diethylaminoethyl 2-(4-biphenyl)thiobutyrateorb1694824CHEMBL2106490DTXSID60863991AKOS040754451NS00124326T35167
Database identifiers
- CAS
7009-79-2- PubChem CID
- 6445348
- DTXSID
DTXSID60863991- ChEMBL
CHEMBL2106490- UNII
- 0PM0Q96HVS
- Nikkaji
- J8.886B
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- FDA UNII
- 0 PM0Q96HVS · 0PM0Q96HVS
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Related reactions
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Compound notes
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