4-(4-fluorophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
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Basic information
- CAS
128483-25-0- Standard SMILES
Fc1ccc(C2NC(=S)NC3=C2CCc2ccccc23)cc1- InChIKey
KYIDPNKZTPLRAT-UHFFFAOYSA-N- Molecular formula
- C18H15FN2S
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.09399782
Names & identifiers
- Preferred name
- 4-(4-fluorophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
- IUPAC
- 4-(4-fluorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione
- English name
- 4-(4-fluorophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
- Molecular formula
- C18H15FN2S
- Molecular weight
- 310.39
Names & synonyms
4-(4-fluorophenyl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione128483-25-04-(4-fluorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thioneOprea1_310239STK081583AKOS000286652AKOS022085341CCG-236856AM-879/15041705Benzo[h]quinazoline-2(1H)-thione, 4-(4-fluorophenyl)-3,4,5,6-tetrahydro-
Database identifiers
- CAS
128483-25-0- PubChem CID
- 2816468
- Nikkaji
- J3.560.497I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Boiling point
- 472.5 · 472.5±55.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 12.41 · 12.41±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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