Basic information
- CAS
52505-58-5- Standard SMILES
Cc1cc(C)c2c(N)c(C(=O)c3ccccc3)sc2n1- InChIKey
JKFYVJIMIFVKOB-UHFFFAOYSA-N- Molecular formula
- C16H14N2OS
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.08268425
Names & identifiers
- Preferred name
- (3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)phenylmethanone
- IUPAC
- (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone
Names & synonyms
52505-58-5(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)phenylmethanone(3-Amino-4,6-dimethylthieno(2,3-b)pyridin-2-yl)phenylmethanoneRefChem:207494(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(phenyl)methanoneCHEMBL15810203-amino-4,6-dimethylthiopheno[2,3-b]pyridin-2-yl phenyl ketone(3-Amino-4,6-dimethyl-thieno[2,3-b]pyridin-2-yl)-phenyl-methanone(3-AMINO-4,6-DIMETHYL-THIENO(2,3-B)PYRIDIN-2-YL)-PHENYL-METHANONEMaybridge3_003007Oprea1_001498Oprea1_506210
Show more names
MLS001029480SCHEMBL23760356DTXSID30350565HMS1439I15HMS2788P06BDBM50536610NSC750972SBB007350
Database identifiers
- CAS
52505-58-5- PubChem CID
- 683024
- DTXSID
DTXSID30350565- ChEMBL
CHEMBL1581020- EC Number
- 167-971-1
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Experimental & physicochemical properties
Solubility<0.3 [ug/mL] (The mean of the results at pH 7.4)
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]
P264, P270, P301+P317, P330, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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