Basic information
- CAS
57289-12-0- Standard SMILES
CC12SC3(C)SC(C)(S1)SC(C(N)=O)(S2)S3- InChIKey
UTTRAKZKLAFKBZ-UHFFFAOYSA-N- Molecular formula
- C8H11NOS6
- Average molar mass
- 329.6 g/mol
- Monoisotopic mass
- 328.91649102
Names & identifiers
- Preferred name
- 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-carboxamide
- IUPAC
- 3,5,7-trimethyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.13,7]decane-1-carboxamide
- English name
- 3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-carboxamide
- Molecular formula
- C8H11NOS6
- Molecular weight
- 329.57
Names & synonyms
3,5,7-Trimethyl-2,4,6,8,9,10-hexathiaadamantane-1-carboxamide57289-12-0DTXSID80338292RefChem:271408DTXCID60289379UTTRAKZKLAFKBZ-UHFFFAOYSA-N2,4,6,8,9,10-Hexathiatricyclo[3.3.1.1(3,7)]decane-1-carboxamide, 3,5,7-trimethyl-DB-2619333,5,7-Trimethyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.1~3,7~]decane-1-carboxamide2,4,6,8,9,10-Hexathiatricyclo[3.3.1.13,7]decane-1-carboxamide, 3,5,7-trimethyl-
Database identifiers
- CAS
57289-12-0- PubChem CID
- 548141
- DTXSID
DTXSID80338292- Nikkaji
- J111.423I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Boiling point
- 474.3 · 474.3±45.0 °C(Predicted)
- Density
- 1.701 · 1.701±0.06 g/cm3(Predicted)
- pka
- 13.09 · 13.09±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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