2-((2-Methyl-2-propenyl)thio)-3-phenyl-4(3H)-quinazolinone
Basic information
- CAS
497246-02-3- Standard SMILES
C=C(C)CSc1nc2ccccc2c(=O)n1-c1ccccc1- InChIKey
LFNDSAZDPHWTCV-UHFFFAOYSA-N- Molecular formula
- C18H16N2OS
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.09833431
Names & identifiers
- Preferred name
- 2-((2-Methyl-2-propenyl)thio)-3-phenyl-4(3H)-quinazolinone
- IUPAC
- 2-(2-methylprop-2-enylsulfanyl)-3-phenylquinazolin-4-one
- English name
- SALOR-INT L407429-1EA
- Molecular formula
- C18H16N2OS
- Molecular weight
- 308.4
Names & synonyms
497246-02-3RefChem:4478312-((2-Methyl-2-propenyl)thio)-3-phenyl-4(3H)-quinazolinone643-983-72-(2-methylprop-2-enylsulfanyl)-3-phenylquinazolin-4-one2-((2-Methylallyl)thio)-3-phenylquinazolin-4(3H)-one2-[(2-methylprop-2-en-1-yl)sulfanyl]-3-phenyl-3,4-dihydroquinazolin-4-oneSTK841063AKOS0008718232-[(2-methyl-2-propen-1-yl)thio]-3-phenyl-4(3H)-quinazolinone2-[(2-methyl-2-propenyl)sulfanyl]-3-phenyl-4(3H)-quinazolinone2-[(2-methylprop-2-en-1-yl)sulfanyl]-3-phenylquinazolin-4(3H)-one
Show more names
SALOR-INT L407429-1EA4(3H)-Quinazolinone, 2-[(2-methyl-2-propen-1-yl)thio]-3-phenyl-
Database identifiers
- CAS
497246-02-3- PubChem CID
- 948853
- EC Number
- 643-983-7
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 468
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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