Basic information
- Standard SMILES
CC(C)(C)Sc1nnc(SC2(C)CCC3CC2C3(C)C)s1- InChIKey
OAWFPUJICFEPEH-UHFFFAOYSA-N- Molecular formula
- C16H26N2S3
- Average molar mass
- 342.6 g/mol
Names & identifiers
- Preferred name
- 2-(2-Pinanylthio)-5-(t-butylthio)-1,3,4-thiadiazole
- IUPAC
- 2-tert-butylsulfanyl-5-[(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)sulfanyl]-1,3,4-thiadiazole
Names & synonyms
SCHEMBL9518252OAWFPUJICFEPEH-UHFFFAOYSA-N2-(2-Pinanylthio)-5-(t-butylthio)-1,3,4-thiadiazole
Database identifiers
- PubChem CID
- 20129852
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 407
Related reactions
1 records
Compound notes
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