1-[(3-Chlorophenyl)sulfanyl]-3-(4-phenylpiperazino)-2-propanol
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Basic information
- CAS
338421-68-4- Standard SMILES
OC(CSc1cccc(Cl)c1)CN1CCN(c2ccccc2)CC1- InChIKey
NSNRUVWGIWQUCM-UHFFFAOYSA-N- Molecular formula
- C19H23ClN2OS
- Average molar mass
- 362.9 g/mol
- Monoisotopic mass
- 362.1219622
Names & identifiers
- Preferred name
- 1-[(3-Chlorophenyl)sulfanyl]-3-(4-phenylpiperazino)-2-propanol
- IUPAC
- 1-(3-chlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol
- English name
- 1-[(3-CHLOROPHENYL)SULFANYL]-3-(4-PHENYLPIPERAZINO)-2-PROPANOL
- Molecular formula
- C19H23ClN2OS
- Molecular weight
- 362.92
Names & synonyms
338421-68-41-[(3-chlorophenyl)sulfanyl]-3-(4-phenylpiperazino)-2-propanol1-(3-chlorophenyl)sulfanyl-3-(4-phenylpiperazin-1-yl)propan-2-ol1-[(3-chlorophenyl)sulfanyl]-3-(4-phenylpiperazin-1-yl)propan-2-olBionet1_001776KS-000037E2Oprea1_345597HMS573E18AKOS0050913454H-436S1-Piperazineethanol, α-[[(3-chlorophenyl)thio]methyl]-4-phenyl-
Database identifiers
- CAS
338421-68-4- PubChem CID
- 3843456
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Boiling point
- 533.2 · 533.2±50.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 14.12 · 14.12±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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