3,11-Dimethyl-7,14,15-trithia-3,11-diazadispiro(5.1.5.2)pentadecane
Basic information
- CAS
93256-15-6- Standard SMILES
CN1CCC2(CC1)SSC1(CCN(C)CC1)S2- InChIKey
BOKHNVRNGHYKSE-UHFFFAOYSA-N- Molecular formula
- C12H22N2S3
- Average molar mass
- 290.5 g/mol
- Monoisotopic mass
- 290.09451223
Names & identifiers
- Preferred name
- 3,11-Dimethyl-7,14,15-trithia-3,11-diazadispiro(5.1.5.2)pentadecane
- IUPAC
- 3,11-dimethyl-7,14,15-trithia-3,11-diazadispiro[5.1.58.26]pentadecane
Names & synonyms
93256-15-6NSC 1562653,11-Dimethyl-7,14,15-trithia-3,11-diazadispiro(5.1.5.2)pentadecane3,11-Dimethyl-7,14,15-trithia-3,11-diazadispiro[5.1.5.2]pentadecaneNSC156265CHEMBL2010571DTXSID102393493,11-dimethyl-7,14,15-trithia-3,11-diazadispiro[5.1.5^{8}.2^{6}]pentadecane3,11-Dimethyl-7,14,15-trithia-3,11-diazadispiro[5.1.5~8~.2~6~]pentadecane
Database identifiers
- CAS
93256-15-6- PubChem CID
- 423671
- DTXSID
DTXSID10239349- ChEMBL
CHEMBL2010571
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
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Related reactions
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Compound notes
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