Ptca
Basic information
- CAS
114067-78-6- Standard SMILES
CN(C)C1CSSSSSC1- InChIKey
KKJUPNGICOCCDW-UHFFFAOYSA-N- Molecular formula
- C5H11NS5
- Average molar mass
- 245.5 g/mol
- Monoisotopic mass
- 244.94950522
Overview
7-N,N-Dimethylamino-1,2,3,4,5-pentathiocyclooctane is a tertiary amine.
Names & identifiers
- Preferred name
- Ptca
- IUPAC
- N,N-dimethylpentathiocan-7-amine
- English name
- 1,2,3,4,5-Pentathiocan-7-amine, N,N-dimethyl-
- Molecular formula
- C5H11NS5
- Molecular weight
- 245.47
Names & synonyms
N,N-dimethylpentathiocan-7-amineRefChem:1097147Ptca7-N,N-Dimethylamino-1,2,3,4,5-pentathiocyclooctaneC10917114067-78-6AC1L9DWNDuosaiwanpolythialan [ISO]21386-EP2269989A121386-EP2272817A1N,N-dimethyl-1,2,3,4,5-pentathiocan-7-amine
Show more names
1,2,3,4,5-Pentathiocan-7-amine, N,N-dimethyl-
4SX32ZWF2ACHEBI:2277DTXSID9013374311,2,3,4,5-Pentathiocan-7-amine, N,N-dimethylQ271056057-N,N-(Dimethylamino)-1,2,3,4,5-pentathiocyclooctane
Database identifiers
- CAS
114067-78-6- PubChem CID
- 443032
- DTXSID
DTXSID901337431- ChEBI
CHEBI:2277- UNII
- 4SX32ZWF2A
- Nikkaji
- J658.265F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Boiling point
- 377.1 · 377.1±52.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 7.71 · 7.71±0.20(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 7-N,N-Dimethylamino-1,2,3,4,5-pentathiocyclooctane is a tertiary amine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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