2-(4,5-dihydro-1H-imidazol-2-ylthio)-2-(methylthio)-1,3-dithia-5,8-diazaspiro[3.4]octane
Basic information
- CAS
69754-53-6- Standard SMILES
CSC1(SC2=NCCN2)SC2(NCCN2)S1- InChIKey
XCQBEENDHMMMRU-UHFFFAOYSA-N- Molecular formula
- C8H14N4S4
- Average molar mass
- 294.5 g/mol
- Monoisotopic mass
- 294.01013116
Names & identifiers
- Preferred name
- 2-(4,5-dihydro-1H-imidazol-2-ylthio)-2-(methylthio)-1,3-dithia-5,8-diazaspiro[3.4]octane
- IUPAC
- 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-2-methylsulfanyl-1,3-dithia-5,8-diazaspiro[3.4]octane
Names & synonyms
NSC318538MLS00270180869754-53-6NSC-318538NCIStruc1_000879NCIStruc2_000861CHEMBL1335862DTXSID60317580CCG-36762NCGC00014718NCI3185382-(4,5-dihydro-1H-imidazol-2-ylthio)-2-(methylthio)-1,3-dithia-5,8-diazaspiro[3.4]octane
Show more names
NCGC00014718-02NCGC00097819-01NCI60_002736SMR0015654022-[(4,5-Dihydro-1H-imidazol-2-yl)sulfanyl]-2-(methylsulfanyl)-1,3-dithia-5,8-diazaspiro[3.4]octane
Database identifiers
- CAS
69754-53-6- PubChem CID
- 330385
- DTXSID
DTXSID60317580- ChEMBL
CHEMBL1335862
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 307
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Related reactions
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Compound notes
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