Basic information
- CAS
49850-74-0- Standard SMILES
SCCNCCc1ccccn1- InChIKey
BGZXZJGBUGCVLY-UHFFFAOYSA-N- Molecular formula
- C9H14N2S
- Average molar mass
- 182.29 g/mol
- Monoisotopic mass
- 182.08776963
Names & identifiers
- Preferred name
- 2-{[2-(Pyridin-2-yl)ethyl]amino}ethane-1-thiol
- IUPAC
- 2-(2-pyridin-2-ylethylamino)ethanethiol
Names & synonyms
49850-74-02-{[2-(Pyridin-2-yl)ethyl]amino}ethane-1-thiolDTXSID20501347N-(beta-mercaptoethyl)-N-[beta-(pyridin-2-yl)ethyl]amine
Database identifiers
- CAS
49850-74-0- PubChem CID
- 12525317
- DTXSID
DTXSID20501347- Nikkaji
- J1.010.354A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 25.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 109
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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