2-(4-methoxyphenyl)-3'-methyl-3',4'-dihydro-2'H-spiro[1,3-dioxane-5,7'-[1,3]thiazolo[3,2-a][1,3,5]triazin]-6'-one
Basic information
- CAS
6140-63-2- Standard SMILES
COc1ccc(C2OCC3(CO2)SC2=NCN(C)CN2C3=O)cc1- InChIKey
LRQBRNGJRCZHCS-UHFFFAOYSA-N- Molecular formula
- C16H19N3O4S
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.10962727
Names & identifiers
- Preferred name
- 2-(4-methoxyphenyl)-3'-methyl-3',4'-dihydro-2'H-spiro[1,3-dioxane-5,7'-[1,3]thiazolo[3,2-a][1,3,5]triazin]-6'-one
- IUPAC
- 2-(4-methoxyphenyl)-3'-methylspiro[1,3-dioxane-5,7'-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine]-6'-one
- English name
- 1-Methylcyclopentanecarbaldehyde
- Molecular formula
- C7H12O
- Molecular weight
- 112.17
Names & synonyms
2-(4-methoxyphenyl)-3'-methyl-3',4'-dihydro-2'H-spiro[1,3-dioxane-5,7'-[1,3]thiazolo[3,2-a][1,3,5]triazin]-6'-oneCDS1_004938CBMicro_036682DivK1c_005978DTXSID70365557CCG-17957STK824456AKOS0016339542-(4-methoxyphenyl)-3'-methylspiro[1,3-dioxane-5,7'-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine]-6'-one374087-20-4BIM-0036599.P0012-(4-Methoxyphenyl)-3'-methyl-3',4'-dihydro-2'H,6'H-spiro[[1,3]dioxane-5,7'-[1,3]thiazolo[3,2-a][1,3,5]triazin]-6'-one
Show more names
1-Methylcyclopentanecarbaldehyde1-METHYLCYCLOPENTANE-1-CARBALDEHYDECyclopentanecarboxaldehyde, 1-methyl-
2-(4-methoxyphenyl)-3'-methyl-3',4'-dihydrospiro[[1,3]dioxane-5,7'-thiazolo[3,2-a][1,3,5]triazin]-6'(2'H)-one
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 527
Physicochemical properties
- Boiling point
- 137 · 137-139 °C
- Density
- 0.942 g/cm3 · 0.9420 g/cm3
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H319-H335
- Precautionary statements
- 210 · P210-P240-P241-P242-P243-P261-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
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
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H225-H315-H319-H335
- Precautionary statements
- P210-P240-P241-P242-P243-P261-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
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