Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride
Basic information
- CAS
130564-60-2- Standard SMILES
Cl.O=[N+]([O-])c1ccccc1C(=S)N1CCN(Cc2ccccc2)CC1- InChIKey
YMYABMMFJOQVBX-UHFFFAOYSA-N- Molecular formula
- C18H20ClN3O2S
- Average molar mass
- 377.9 g/mol
- Monoisotopic mass
- 377.0964758
Names & identifiers
- Preferred name
- Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride
- IUPAC
- (4-benzylpiperazin-1-yl)-(2-nitrophenyl)methanethione;hydrochloride
Names & synonyms
Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride1-((2-Nitrophenyl)thioxomethyl)-4-(phenylmethyl)piperazine monohydrochloride130564-60-2DTXSID50156622RefChem:371765DTXCID7079113(4-Benzylpiperazin-1-yl)(2-nitrophenyl)methanethione--hydrogen chloride (1/1)
Database identifiers
- CAS
130564-60-2- PubChem CID
- 3076249
- DTXSID
DTXSID50156622
Properties
Computed structural properties
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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