2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid
Basic information
- CAS
371233-49-7- Standard SMILES
O=C(O)Cn1cnc2sc(-c3ccccc3)cc2c1=O- InChIKey
CPBYPPJIQRNDEB-UHFFFAOYSA-N- Molecular formula
- C14H10N2O3S
- Average molar mass
- 286.31 g/mol
- Monoisotopic mass
- 286.04121336
Names & identifiers
- Preferred name
- 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid
- IUPAC
- 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
- English name
- 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid
- Molecular formula
- C14H10N2O3S
- Molecular weight
- 286.31
Names & synonyms
371233-49-72-{4-oxo-6-phenyl-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetic acid2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)acetic acid(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)acetic acidMFCD027302812-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid2-(4-oxo-6-phenyl-3-hydrothiopheno[2,3-d]pyrimidin-3-yl)acetic acidOprea1_390550Oprea1_559333WPA23349BBL010127SBB015525
Show more names
Thieno[2,3-d]pyrimidine-3(4H)-acetic acid, 4-oxo-6-phenyl-
STK711182AKOS000273224CCG-114851VS-02330CS-0225388EU-0015158ST50193117EN300-12367
Database identifiers
- CAS
371233-49-7- PubChem CID
- 801032
- EC Number
- 116-193-0
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Boiling point
- 567.6 · 567.6±60.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 3.62 · 3.62±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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