Basic information
- CAS
58913-39-6- Standard SMILES
CCCCNC1=CC(=S)NC(C)(C)C1- InChIKey
ZWAXMCQJXNHJAJ-UHFFFAOYSA-N- Molecular formula
- C11H20N2S
- Average molar mass
- 212.36 g/mol
- Monoisotopic mass
- 212.13471982
Names & identifiers
- Preferred name
- 4-(Butylamino)-6,6-dimethyl-5,6-dihydropyridine-2(1H)-thione
- IUPAC
- 4-(butylamino)-2,2-dimethyl-1,3-dihydropyridine-6-thione
Names & synonyms
58913-39-6NSC283855DTXSID803982354-(Butylamino)-6,6-dimethyl-5,6-dihydropyridine-2(1H)-thioneNSC-283855
Database identifiers
- CAS
58913-39-6- PubChem CID
- 3958348
- DTXSID
DTXSID80398235
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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