Basic information
- CAS
99-00-3- Standard SMILES
S=C(S)N1CCNCC1- InChIKey
IDIICHZCEIGXGB-UHFFFAOYSA-N- Molecular formula
- C5H10N2S2
- Average molar mass
- 162.3 g/mol
- Monoisotopic mass
- 162.02854067
Names & identifiers
- Preferred name
- 1-Piperazinecarbodithioic acid
- IUPAC
- piperazine-1-carbodithioic acid
- English name
- PICADEX
- Molecular formula
- C5H10N2S2
- Molecular weight
- 162.28
Names & synonyms
Picadex1-Piperazinecarbodithioic acidSafersanPiperazine-1-carbodithioic acidParvex99-00-3DTXSID5041279NSC-5146NSC-135066Z6020Q81CDTXCID3021279RefChem:174129
Show more names
phdpiperazine-carbonPIPERAZINE CARBON DISULFIDEpiperazine-1-carbodithioicacidpiperazine-carbondisulfidecomplexn-piperazinedithioacarboxylicacid
202-720-2Piperazine-1-dithiocarboxylic acidPiperazine-1-carbodithioic acid betaineN-Piperazinedithioacarboxylic acid1-PiperazinecarbodithioicacidNSC5146NSC13506NSC31554
Database identifiers
- CAS
99-00-3- PubChem CID
- 66829
- DTXSID
DTXSID5041279- ChEMBL
CHEMBL1407899- UNII
- 6Z6020Q81C
- EC Number
- 202-720-2
- Nikkaji
- J182.131H
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point225 - 227 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 242.4 · 242.4±50.0 °C(Predicted)
- Density
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- Melting point
- 228 °C · 228 °C
- pka
- 3.19 · 3.19±0.20(Predicted)
- FDA UNII
- 6 Z6020Q81C · 6Z6020Q81C
- EPA Substance Registry System
- 1 · 1-Piperazinecarbodithioic acid (99-00-3)
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationREACH registered substance: Piperazine-1-dithiocarboxylic acid (EC: 202-720-2)
Other Safety InformationIMAP assessments - 1-Piperazinecarbodithioic acid: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- REACH Registrations
- Active
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Suppliers2 total
山东满堂红新材料有限公司13065055261 13065055261 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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