3,3,5,10,10-Pentamethyl-1,2,5,8-dithiadiazecane
Basic information
- CAS
142991-47-7- Standard SMILES
CN1CCNCC(C)(C)SSC(C)(C)C1- InChIKey
XPELYKIFELXBPZ-UHFFFAOYSA-N- Molecular formula
- C11H24N2S2
- Average molar mass
- 248.5 g/mol
- Monoisotopic mass
- 248.13809112
Names & identifiers
- Preferred name
- 3,3,5,10,10-Pentamethyl-1,2,5,8-dithiadiazecane
- IUPAC
- 3,3,5,10,10-pentamethyl-1,2,5,8-dithiadiazecane
Names & synonyms
142991-47-73,3,5,10,10-Pentamethyl-1,2,5,8-dithiadiazecaneDTXSID50573577RefChem:270097DTXCID70524349
Database identifiers
- CAS
142991-47-7- PubChem CID
- 15519695
- DTXSID
DTXSID50573577
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 65.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
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Compound notes
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