(4-(3-Chlorophenyl)piperazin-1-yl)(4-methoxyphenyl)methanethione
Basic information
- CAS
327074-70-4- Standard SMILES
COc1ccc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1- InChIKey
MRZLWMYZXMVHKE-UHFFFAOYSA-N- Molecular formula
- C18H19ClN2OS
- Average molar mass
- 346.9 g/mol
- Monoisotopic mass
- 346.0906621
Names & identifiers
- Preferred name
- (4-(3-Chlorophenyl)piperazin-1-yl)(4-methoxyphenyl)methanethione
- IUPAC
- [4-(3-chlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanethione
- English name
- 4-{[4-(3-chlorophenyl)-1-piperazinyl]carbothioyl}phenyl methyl ether
- Molecular formula
- C18H19ClN2OS
- Molecular weight
- 346.87
Names & synonyms
327074-70-4(4-(3-chlorophenyl)piperazin-1-yl)(4-methoxyphenyl)methanethioneMLS000737717[4-(3-chlorophenyl)piperazin-1-yl](4-methoxyphenyl)methanethione[4-(3-chlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanethione1-(3-CHLOROPHENYL)-4-(4-METHOXYBENZENECARBOTHIOYL)PIPERAZINESMR000431800[4-(3-Chloro-phenyl)-piperazin-1-yl]-(4-methoxy-phenyl)-methanethioneNSC111194CBMicro_005382Oprea1_212505MLS000768479
Show more names
Methanethione, [4-(3-chlorophenyl)-1-piperazinyl](4-methoxyphenyl)-4-{[4-(3-chlorophenyl)-1-piperazinyl]carbothioyl}phenyl methyl ether
CHEMBL1561210DTXSID201333545HMS2801C22SMSF0015014STK952577AKOS000347190CB07804NSC-111194
Database identifiers
- CAS
327074-70-4- PubChem CID
- 269707
- DTXSID
DTXSID201333545- ChEMBL
CHEMBL1561210
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 392
Experimental & physicochemical properties
Solubility1.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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