Basic information
- CAS
52505-42-7- Standard SMILES
CC(=O)c1sc2nc(C)cc(C)c2c1N- InChIKey
ZDAPLZCKWHZNPX-UHFFFAOYSA-N- Molecular formula
- C11H12N2OS
- Average molar mass
- 220.29 g/mol
- Monoisotopic mass
- 220.06703418
Overview
1-(3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinyl)ethanone is a thienopyridine.
Names & identifiers
- Preferred name
- 1-(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone
- IUPAC
- 1-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone
- English name
- 1-(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone
- Molecular formula
- C11H12N2OS
- Molecular weight
- 220.29
Names & synonyms
52505-42-71-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone1-(3-Amino-4,6-dimethyl-thieno[2,3-b]pyridin-2-yl)-ethanone1-{3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl}ethan-1-oneMFCD001247191-(3-Amino-4,6-dimethyl-thieno[2,3-b]pyridin-2-yl)ethanone1-{3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl}ethanone2-acetyl-3-amino-4,6-dimethylthiopheno[2,3-b]pyridine1-(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethan-1-oneMLS000551049CHEMBL1392055SCHEMBL19769230
Show more names
Ethanone, 1-(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-1-(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone - [A92918]
DTXSID80351340CHEBI:116317HMS2402P04HMS3843L081-(3-Amino-4,6-dimethyl-thieno[2,3- b ]pyridin-2-yl)-ethanoneCCG-1500SBB027947STK060606
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
Clearsynth Labs Limited+91-22-26355700 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: 1-(3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinyl)ethanone is a thienopyridine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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