4-((5,6,7,8-Tetrahydro-2-naphthyl)thioacetyl)morpholine
Basic information
- CAS
5452-58-4- Standard SMILES
S=C(Cc1ccc2c(c1)CCCC2)N1CCOCC1- InChIKey
RRHRCKOVXFVNDU-UHFFFAOYSA-N- Molecular formula
- C16H21NOS
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.13438547
Names & identifiers
- Preferred name
- 4-((5,6,7,8-Tetrahydro-2-naphthyl)thioacetyl)morpholine
- IUPAC
- 1-morpholin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanethione
- English name
- 1-morpholin-4-yl-2-tetralin-2-yl-ethanethione
- Molecular formula
- C16H21NOS
- Molecular weight
- 275.41
Names & synonyms
5452-58-44-((5,6,7,8-Tetrahydro-2-naphthyl)thioacetyl)morpholineEthanethione,1-(4-morpholinyl)-2-(5,6,7,8-tetrahydro-2-naphthalenyl)-1-morpholin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanethioneNSC18944NIOSH/QE9521500DTXSID20280862NSC-18944STL138925AKOS005715517QE95215000AP-518/42710800
Show more names
1-morpholin-4-yl-2-tetralin-2-yl-ethanethione1-morpholin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-ethanethioneEthanethione, 1-(4-morpholinyl)-2-(5,6,7,8-tetrahydro-2-naphthalenyl)-
SR-01000280692SR-01000280692-1Morpholine, 4-((5,6,7,8-tetrahydro-2-naphthyl)thioacetyl)-4-[2-(5,6,7,8-tetrahydro-2-naphthalenyl)ethanethioyl]morpholine1-(Morpholin-4-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethane-1-thione1-(morpholin-4-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanethione
Database identifiers
- CAS
5452-58-4- PubChem CID
- 227381
- DTXSID
DTXSID20280862
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Melting point
- 111.8 °C · 111.8 °C
- Boiling point
- 429.704 · 429.704±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.171 · 1.171±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.317 · 1.317±0.20(predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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