Basic information
- CAS
57274-64-3- Standard SMILES
CCC12SC3SC(SC(S3)S1)S2- InChIKey
MZCIAMPGVFYPHD-UHFFFAOYSA-N- Molecular formula
- C6H8S6
- Average molar mass
- 272.5 g/mol
- Monoisotopic mass
- 271.8950273
Names & identifiers
- Preferred name
- 2,4,6,8,9,10-Hexathiatricyclo[3.3.1.1(3,7)]decane, 1-ethyl-
- IUPAC
- 1-ethyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.13,7]decane
- English name
- 1-Ethyl-2,4,6,8,9,10-hexathiaadamantane
- Molecular formula
- C6H8S6
- Molecular weight
- 272.52
Names & synonyms
2,4,6,8,9,10-Hexathiatricyclo[3.3.1.1(3,7)]decane, 1-ethyl-57274-64-31-Ethyl-2,4,6,8,9,10-hexathiaadamantaneDTXSID70338963MZCIAMPGVFYPHD-UHFFFAOYSA-NDB-2595441-Ethyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.1~3,7~]decane2,4,6,8,9,10-Hexathiatricyclo[3.3.1.13,7]decane, 1-ethyl-
Database identifiers
- CAS
57274-64-3- PubChem CID
- 552177
- DTXSID
DTXSID70338963- Nikkaji
- J111.387I
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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