1,1',1''-Phosphorothioyltriazepane
Basic information
- CAS
22965-07-7- Standard SMILES
S=P(N1CCCCCC1)(N1CCCCCC1)N1CCCCCC1- InChIKey
HEFOVCWKKZVVPF-UHFFFAOYSA-N- Molecular formula
- C18H36N3PS
- Average molar mass
- 357.5 g/mol
- Monoisotopic mass
- 357.23675633
Names & identifiers
- Preferred name
- 1,1',1''-Phosphorothioyltriazepane
- IUPAC
- tris(azepan-1-yl)-sulfanylidene-λ5-phosphane
Names & synonyms
22965-07-71,1',1''-phosphorothioyltriazepaneNSC54343DTXSID50288134NSC-543431,1',1''-Phosphorothioyltris(azepane)
Database identifiers
- CAS
22965-07-7- PubChem CID
- 243991
- DTXSID
DTXSID50288134
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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