Basic information
- CAS
725-32-6- Standard SMILES
S=C(SC(=S)N1CCCCC1)N1CCCCC1- InChIKey
PFOWLPUJPOQMAL-UHFFFAOYSA-N- Molecular formula
- C12H20N2S3
- Average molar mass
- 288.5 g/mol
- Monoisotopic mass
- 288.07886217
Names & identifiers
- Preferred name
- Piperidine-1-dithiocarboxylic acid, anhydrosulphide
- IUPAC
- piperidine-1-carbothioyl piperidine-1-carbodithioate
Names & synonyms
725-32-6Robac PTMDipentamethylenethiuram monosulfideDipentamethylenethiuram sulfideAI 3-18658CHEMBL24090781-Piperidinecarbodithioic acid, anhydrosulfidePiperidine-1-dithiocarboxylic acid, anhydrosulphideEINECS 211-969-6Piperidine-1-carbothioic thioanhydrideAI3-18658SCHEMBL78834
Show more names
DTXSID60222807PFOWLPUJPOQMAL-UHFFFAOYSA-NBDBM50437704Dicyclopentamethylenethiuram monosulfideNS00037382
Database identifiers
- CAS
725-32-6- PubChem CID
- 69762
- DTXSID
DTXSID60222807- ChEMBL
CHEMBL2409078- EC Number
- 211-969-6
- Nikkaji
- J193.096F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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