Basic information
- CAS
18794-47-3- Standard SMILES
Cc1cncc(SC(C)(C)C)c1- InChIKey
ASCYFBRLXRDIQH-UHFFFAOYSA-N- Molecular formula
- C10H15NS
- Average molar mass
- 181.3 g/mol
- Monoisotopic mass
- 181.09252066
Names & identifiers
- Preferred name
- 3-Picoline, 5-(tert-butylthio)-
- IUPAC
- 3-tert-butylsulfanyl-5-methylpyridine
- English name
- 3-(tert-Butylthio)-5-methylpyridine
- Molecular weight
- 0
Names & synonyms
18794-47-33-Picoline, 5-(tert-butylthio)-3-(tert-butylthio)-5-methylpyridine3-tert-butylsulfanyl-5-methylpyridine5-(tert-Butylthio)-3-picolineASCYFBRLXRDIQH-UHFFFAOYSA-NDTXSID6013473763-TERT-BUTYLMERCAPTO-5-PICOLINE3-(tert-Butylsulfanyl)-5-methylpyridine #Q633919143-tert-Butylthio-5-methylpyridine3-[(1,1-Dimethylethyl)thio]-5-methylpyridine
Database identifiers
- CAS
18794-47-3- PubChem CID
- 580451
- DTXSID
DTXSID601347376- Nikkaji
- J46.156C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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