Basic information
- CAS
17443-96-8- Standard SMILES
CC12SC3SC(C)(SC(S1)C3(C)C)S2- InChIKey
DVNVCYCMGCJQBB-UHFFFAOYSA-N- Molecular formula
- C9H14S5
- Average molar mass
- 282.5 g/mol
- Monoisotopic mass
- 281.96990631
Names & identifiers
- Preferred name
- Agn-PC-0jspeg
- IUPAC
- 1,5,10,10-tetramethyl-2,4,6,8,9-pentathiatricyclo[3.3.1.13,7]decane
- English name
- 1,5,10,10-Tetramethyl-2,4,6,8,9-pentathiaadamantane
- Molecular weight
- 0
Names & synonyms
17443-96-8AGN-PC-0JSPEGDTXSID00338294RefChem:317606DTXCID302893811,5,10,10-Tetramethyl-2,4,6,8,9-pentathiaadamantane2,4,6,8,9-Pentathiaadamantane, 1,5,10,10-tetramethyl-DVNVCYCMGCJQBB-UHFFFAOYSA-N1,5,10,10-tetramethyl-2,4,6,8,9-pentathiatricyclo[3.3.1.13,7]decane1,5,10,10-Tetramethyl-2,4,6,8,9-pentathiatricyclo[3.3.1.1~3,7~]decane
Database identifiers
- CAS
17443-96-8- PubChem CID
- 548159
- DTXSID
DTXSID00338294- Nikkaji
- J109.837C
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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