2,4,6,8-Tetrathiaadamantane
Basic information
- CAS
281-38-9- Standard SMILES
C1C2SC3CC(S2)SC1S3- InChIKey
HUDLHNYGVCMSOT-UHFFFAOYSA-N- Molecular formula
- C6H8S4
- Average molar mass
- 208.4 g/mol
- Monoisotopic mass
- 207.95088495
Names & identifiers
- Preferred name
- 2,4,6,8-Tetrathiaadamantane
- IUPAC
- 2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane
- English name
- 2,4,6,8-Tetrathiaadamantane
- Molecular formula
- C6H8S4
- Molecular weight
- 208.39
Names & synonyms
2,4,6,8-TetrathiaadamantaneDTXSID40346196281-38-92,4,6,8-Tetrathiatricyclo[3.3.1.1(3,7)]decane2,4,6,8-Tetrathiatricyclo(3.3.1.1(3,7))decaneRefChem:245666DTXCID30297269HUDLHNYGVCMSOT-UHFFFAOYSA-N2,4,6,8-Tetrathiatricyclo[3.3.1.1~3,7~]decane2,4,6,8-Tetrathiatricyclo[3.3.1.13,7]decane
Database identifiers
- CAS
281-38-9- PubChem CID
- 610322
- DTXSID
DTXSID40346196- Nikkaji
- J111.372K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Melting point
- 300 °C · >300 °C (decomp)
- Boiling point
- 356.3 · 356.3±42.0 °C(Predicted)
- Density
- 1.517 · 1.517±0.06 g/cm3(Predicted)
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Compound notes
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