1-Piperazinecarbodithioic acid, 4-ethyl-3-methyl-
Basic information
- CAS
26864-83-5- Standard SMILES
CCN1CCN(C(=S)S)CC1C- InChIKey
ZBEMXTSKOYPDSD-UHFFFAOYSA-N- Molecular formula
- C8H16N2S2
- Average molar mass
- 204.4 g/mol
- Monoisotopic mass
- 204.07549087
Names & identifiers
- Preferred name
- 1-Piperazinecarbodithioic acid, 4-ethyl-3-methyl-
- IUPAC
- 4-ethyl-3-methylpiperazine-1-carbodithioic acid
Names & synonyms
26864-83-51-Piperazinecarbodithioic acid, 4-ethyl-3-methyl-RefChem:10564754-ethyl-3-methylpiperazine-1-carbodithioic acidBRN 05112174-Ethyl-3-methyl-1-piperazinecarbodithioic acidDTXSID50949657
Database identifiers
- CAS
26864-83-5- PubChem CID
- 213673
- DTXSID
DTXSID50949657
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 39.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
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Compound notes
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