Basic information
- CAS
13865-52-6- Standard SMILES
CCN(CC)CSc1ccccc1- InChIKey
DXUICAWUODVBBQ-UHFFFAOYSA-N- Molecular formula
- C11H17NS
- Average molar mass
- 195.33 g/mol
- Monoisotopic mass
- 195.10817072
Names & identifiers
- Preferred name
- N-Ethyl-N-((phenylthio)methyl)ethanamine
- IUPAC
- N-ethyl-N-(phenylsulfanylmethyl)ethanamine
- English name
- N-ethyl-N-(phenylsulfanylmethyl)ethanamine
- Molecular formula
- C11H17NS
- Molecular weight
- 195.32
Names & synonyms
13865-52-6N-Ethyl-N-((phenylthio)methyl)ethanamineN-Ethyl-N-[(phenylthio)methyl]ethanamineRefChem:363991N-ethyl-N-(phenylsulfanylmethyl)ethanaminen-ethyl-n-[(phenylsulfanyl)methyl]ethanamineNSC57926DTXSID60930177NSC-57926Diethyl(phenylthiomethyl)amineEthanamine, N-ethyl-N-[(phenylthio)methyl]-
Database identifiers
- CAS
13865-52-6- PubChem CID
- 245702
- DTXSID
DTXSID60930177
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- Boiling point
- 96 · 96-97 °C(Press: 0.5 Torr)
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- pka
- 8.4 · 8.40±0.25(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
凯方医药科技有限公司—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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