Basic information
- CAS
54147-47-6- Standard SMILES
NC(=S)N1CCNCC1- InChIKey
PVIJLUXKGBJNNI-UHFFFAOYSA-N- Molecular formula
- C5H11N3S
- Average molar mass
- 145.23 g/mol
- Monoisotopic mass
- 145.06736835
Names & identifiers
- Preferred name
- 1-Piperazinecarbothioamide
- IUPAC
- piperazine-1-carbothioamide
- English name
- 1-Piperazinecarbothioamide(9CI)
- Molecular formula
- C5H11N3S
- Molecular weight
- 145.23
Names & synonyms
1-piperazinecarbothioamide54147-47-6DTXSID40406289RefChem:233428DTXCID40357141Piperazine-1-carbothioamide1-piperazinyl-thiocarboxamideaminopiperazinylmethane-1-thioneSCHEMBL2825369SCHEMBL5406214SCHEMBL9093586PVIJLUXKGBJNNI-UHFFFAOYSA-N
Show more names
1-Piperazinecarbothioamide(9CI)
SBB080830AKOS000276247DB-259793EN300-41387
Database identifiers
- CAS
54147-47-6- PubChem CID
- 4739638
- DTXSID
DTXSID40406289
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 109
Physicochemical properties
- Boiling point
- 261.7 · 261.7±50.0 °C(Predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- pka
- 16.25 · 16.25±0.20(Predicted)
Chemistry & industry
Suppliers2 total
广州安励合生物科技有限公司13928234501 18098185186 · [email protected]
佛山合硕医药科技有限公司15363639686 · [email protected]
Related reactions
4 records
Compound notes
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