Basic information
- CAS
13847-89-7- Standard SMILES
CC12SC3SC(SC(S3)S1)S2- InChIKey
SMQLZWSJHINUCC-UHFFFAOYSA-N- Molecular formula
- C5H6S6
- Average molar mass
- 258.5 g/mol
- Monoisotopic mass
- 257.87937723
Names & identifiers
- Preferred name
- 1-Methyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.1~3,7~]decane
- IUPAC
- 1-methyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.13,7]decane
- English name
- 1-Methyl-2,4,6,8,9,10-hexathiaadamantane
- Molecular weight
- 0
Names & synonyms
13847-89-7DTXSID507024811-Methyl-2,4,6,8,9,10-hexathiatricyclo[3.3.1.1~3,7~]decane1-Methyl-2,4,6,8,9,10-hexathiaadamantane
Database identifiers
- CAS
13847-89-7- PubChem CID
- 53440323
- DTXSID
DTXSID50702481- Nikkaji
- J111.386K
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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