methyl 4-benzyl-N-cyanopiperazine-1-carbimidothioate
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Basic information
- CAS
89292-69-3- Standard SMILES
CSC(=NC#N)N1CCN(Cc2ccccc2)CC1- InChIKey
JPUVVMXEFDSEIV-UHFFFAOYSA-N- Molecular formula
- C14H18N4S
- Average molar mass
- 274.39 g/mol
- Monoisotopic mass
- 274.12521776
Names & identifiers
- Preferred name
- methyl 4-benzyl-N-cyanopiperazine-1-carbimidothioate
- IUPAC
- methyl 4-benzyl-N-cyanopiperazine-1-carboximidothioate
- English name
- [[4-(benzyl)piperazin-1-yl]-(methylthio)methylene]cyanamide
- Molecular formula
- C14H18N4S
- Molecular weight
- 274.38
Names & synonyms
methyl 4-benzyl-N-cyanopiperazine-1-carbimidothioate89292-69-3methyl 4-benzyl-N-cyanopiperazine-1-carboximidothioateMFCD23166778(Z)-[(4-benzylpiperazin-1-yl)(methylsulfanyl)methylidene](cyano)amine1-piperazinecarboximidothioic acid, N-cyano-4-(phenylmethyl)-, methyl esterSCHEMBL10860097SCHEMBL10860104ALBB-027451methyl 4-benzyl-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioateSTL436139AKOS005098531
Show more names
[[4-(benzyl)piperazin-1-yl]-(methylthio)methylene]cyanamide[(methylthio)-[4-(phenylmethyl)-1-piperazinyl]methylene]cyanamide[methylsulfanyl-[4-(phenylmethyl)piperazin-1-yl]methylene]cyanamide[methylsulfanyl-[4-(phenylmethyl)piperazin-1-yl]methylidene]cyanamide
AKOS015997444AKOS0175480127C-043H43529methyl 4-benzyl-N-cyano-piperazine-1-carboximidothioatemethyl (1E)-4-benzyl-N-cyano-piperazine-1-carboximidothioate
Database identifiers
- CAS
89292-69-3- PubChem CID
- 1482454
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Boiling point
- 396.4 · 396.4±52.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 6.11 · 6.11±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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