1-Piperazinecarbodithioic acid, 4-isobutyl-2-methyl-, compd. with 1-isobutyl-3-methylpiperazine
Basic information
- CAS
29200-59-7- Standard SMILES
CC(C)CN1CCN(C(=S)S)C(C)C1.CC(C)CN1CCNC(C)C1- InChIKey
ZKNJFJFPHBUJPJ-UHFFFAOYSA-N- Molecular formula
- C19H40N4S2
- Average molar mass
- 388.7 g/mol
- Monoisotopic mass
- 388.26943964
Names & identifiers
- Preferred name
- 1-Piperazinecarbodithioic acid, 4-isobutyl-2-methyl-, compd. with 1-isobutyl-3-methylpiperazine
- IUPAC
- 3-methyl-1-(2-methylpropyl)piperazine;2-methyl-4-(2-methylpropyl)piperazine-1-carbodithioic acid
Names & synonyms
29200-59-7RefChem:1056476DTXSID109517962-Methyl-4-(2-methylpropyl)piperazine-1-carbodithioic acid--3-methyl-1-(2-methylpropyl)piperazine (1/1)
Database identifiers
- CAS
29200-59-7- PubChem CID
- 207121
- DTXSID
DTXSID10951796
Properties
Computed structural properties
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 318
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Compound notes
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