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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 23:41:24 UTC
Update Date2023-02-21 17:26:31 UTC
HMDB IDHMDB0038379
Secondary Accession Numbers
  • HMDB38379
Metabolite Identification
Common Name1-Piperazinecarbodithioic acid
Description1-Piperazinecarbodithioic acid belongs to the class of organic compounds known as piperazines. Piperazines are compounds containing a piperazine ring, which is a saturated aliphatic six-member heterocyclic with two nitrogen atoms at positions 1 and 4, as well as four carbon atoms. Based on a literature review a significant number of articles have been published on 1-Piperazinecarbodithioic acid.
Structure
Thumb
Synonyms
ValueSource
1-PiperazinecarbodithioateGenerator
1-Piperazinedithiocarbamic acidHMDB
N-Piperazinedithioacarboxylic acidHMDB
ParvexHMDB
PHDHMDB
PicadexHMDB, MeSH
Piperazine - carbon disulfide complexHMDB
Piperazine-1-carbodithioic acidHMDB
Piperazine-1-carbodithioic acid betaineHMDB
Piperazine-1-dithiocarboxylic acidHMDB
Piperazine-carbon disulfide complexHMDB
SafersanHMDB
Piperazine-1-carbodithioateGenerator
Chemical FormulaC5H10N2S2
Average Molecular Weight162.276
Monoisotopic Molecular Weight162.02853971
IUPAC Namepiperazine-1-carbodithioic acid
Traditional Namepicadex
CAS Registry Number99-00-3
SMILES
SC(=S)N1CCNCC1
InChI Identifier
InChI=1S/C5H10N2S2/c8-5(9)7-3-1-6-2-4-7/h6H,1-4H2,(H,8,9)
InChI KeyIDIICHZCEIGXGB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as piperazines. Piperazines are compounds containing a piperazine ring, which is a saturated aliphatic six-member heterocyclic with two nitrogen atoms at positions 1 and 4, as well as four carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazinanes
Sub ClassPiperazines
Direct ParentPiperazines
Alternative Parents
Substituents
  • Piperazine
  • Azacycle
  • Secondary amine
  • Secondary aliphatic amine
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organosulfur compound
  • Organonitrogen compound
  • Amine
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point225 - 227 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB017722
KNApSAcK IDNot Available
Chemspider ID60193
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound66829
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .