Basic information
- CAS
42770-13-8- Standard SMILES
Nc1ncccc1C1CCCS1- InChIKey
JAJWXPQYEROJAE-UHFFFAOYSA-N- Molecular formula
- C9H12N2S
- Average molar mass
- 180.27 g/mol
- Monoisotopic mass
- 180.07211956
Names & identifiers
- Preferred name
- 3-(Thiolan-2-yl)pyridin-2-amine
- IUPAC
- 3-(thiolan-2-yl)pyridin-2-amine
Names & synonyms
42770-13-83-(thiolan-2-yl)pyridin-2-amineNSC298385DTXSID90316001NSC-298385
Database identifiers
- CAS
42770-13-8- PubChem CID
- 326698
- DTXSID
DTXSID90316001
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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