1-[(Ethylsulfanyl)methyl]-4-methylpiperazine
Basic information
- CAS
99114-77-9- Standard SMILES
CCSCN1CCN(C)CC1- InChIKey
KMHSUUSTCDGUSS-UHFFFAOYSA-N- Molecular formula
- C8H18N2S
- Average molar mass
- 174.31 g/mol
- Monoisotopic mass
- 174.11906976
Names & identifiers
- Preferred name
- 1-[(Ethylsulfanyl)methyl]-4-methylpiperazine
- IUPAC
- 1-(ethylsulfanylmethyl)-4-methylpiperazine
- English name
- Piperazine, 1-[(ethylthio)methyl]-4-methyl- (6CI)
- Molecular formula
- C8H18N2S
- Molecular weight
- 0
Names & synonyms
99114-77-91-[(ETHYLSULFANYL)METHYL]-4-METHYLPIPERAZINENSC87926NCIOpen2_001078SCHEMBL25961228DTXSID30293221NSC-87926DB-288634PIPERAZINE, 1-[(ETHYLTHIO)METHYL]-4-METHYL-Piperazine, 1-[(ethylthio)methyl]-4-methyl- (6CI)
Database identifiers
- CAS
99114-77-9- PubChem CID
- 258668
- DTXSID
DTXSID30293221
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 31.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 100
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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