Basic information
- CAS
69603-49-2- Standard SMILES
SCCCc1cccnc1- InChIKey
MVLCWAAJDXMPMW-UHFFFAOYSA-N- Molecular formula
- C8H11NS
- Average molar mass
- 153.25 g/mol
- Monoisotopic mass
- 153.06122053
Names & identifiers
- Preferred name
- 3-Pyridinepropanethiol
- IUPAC
- 3-pyridin-3-ylpropane-1-thiol
- English name
- 3-Pyridinepropanethiol
- Molecular formula
- C8H11NS
- Molecular weight
- 153.24
Names & synonyms
3-Pyridinepropanethiol3-(pyridin-3-yl)propane-1-thiol69603-49-23-pyridin-3-ylpropane-1-thiolSCHEMBL177920SCHEMBL31281173-(3-pyridyl)propane-1-thiolSCHEMBL16586172DTXSID00296749MVLCWAAJDXMPMW-UHFFFAOYSA-N3-(3-Pyridyl)-1-propylmercaptanMFCD19347136
Show more names
DB-228743F18019EN300-1858748
Database identifiers
- CAS
69603-49-2- PubChem CID
- 269779
- DTXSID
DTXSID00296749
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 13.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 85.3
Physicochemical properties
- Boiling point
- 92 · 92-99 °C(Press: 0.15 Torr)
- Density
- 1.049 · 1.049±0.06 g/cm3(Predicted)
- pka
- 10.26 · 10.26±0.10(Predicted)
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
Chemistry & industry
Suppliers2 total
德州博腾精细化工有限公司[email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Related reactions
8 records
Compound notes
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