3-Amino-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carbonitrile
Basic information
- CAS
313380-31-3- Standard SMILES
N#Cc1sc2nc(-c3cccs3)ccc2c1N- InChIKey
SLSQADMUXUBCRY-UHFFFAOYSA-N- Molecular formula
- C12H7N3S2
- Average molar mass
- 257.3 g/mol
- Monoisotopic mass
- 257.00813958
Names & identifiers
- Preferred name
- 3-Amino-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carbonitrile
- IUPAC
- 3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile
- English name
- 3-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile
- Molecular formula
- C12H7N3S2
- Molecular weight
- 257.33
Names & synonyms
3-amino-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carbonitrile3-amino-6-(2-thienyl)thiopheno[2,3-b]pyridine-2-carbonitrileSCHEMBL144789863-amino-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrileSTK052362AKOS000571919313380-31-3ST0098533-AMINO-6-THIOPHEN-2-YL-THIENO(2,3-B)PYRIDINE-2-CARBONITRILEThieno[2,3-b]pyridine-2-carbonitrile, 3-amino-6-(2-thienyl)-
Database identifiers
- CAS
313380-31-3- PubChem CID
- 690882
- EC Number
- 142-025-0
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Melting point
- 275 · 275-276 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 531.7 · 531.7±50.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 4.03 · 4.03±0.40(Predicted)
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, 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. 3 (100%)
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Related reactions
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Compound notes
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