Basic information
- CAS
2424-69-3- Standard SMILES
CCC[NH+](CCC)CCSC(=O)C(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
HRAOWFUEZFOQAQ-UHFFFAOYSA-N- Molecular formula
- C22H30ClNOS
- Average molar mass
- 392 g/mol
- Monoisotopic mass
- 391.1736634
Names & identifiers
- Preferred name
- Benzeneethanethioic acid, alpha-phenyl-, S-(2-(dipropylamino)ethyl) ester, hydrochloride (1:1)
- IUPAC
- 2-(2,2-diphenylacetyl)sulfanylethyl-dipropylazanium chloride
Names & synonyms
2424-69-3RefChem:1078470Benzeneethanethioic acid, alpha-phenyl-, S-(2-(dipropylamino)ethyl) ester, hydrochloride (1:1)Diphenylthioacetic acid S-2-(dipropylamino)ethyl ester hydrochlorideACETIC ACID, DIPHENYLTHIO-, S-2-(DIPROPYLAMINO)ETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
2424-69-3- PubChem CID
- 17031
Properties
Computed structural properties
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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