3-Amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
Basic information
- CAS
104960-55-6- Standard SMILES
N#Cc1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N- InChIKey
NIZDSIGQLYCWQN-UHFFFAOYSA-N- Molecular formula
- C15H8F3N3S
- Average molar mass
- 319.3 g/mol
- Monoisotopic mass
- 319.03910293
Names & identifiers
- Preferred name
- 3-Amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
- IUPAC
- 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
- English name
- 3-AMINO-6-PHENYL-4-(TRIFLUOROMETHYL)THIENO[2,3-B]PYRIDINE-2-CARBONITRILE
- Molecular formula
- C15H8F3N3S
- Molecular weight
- 319.3
Names & synonyms
104960-55-63-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrileMFCD00855452MLS000590258Thieno[2,3-b]pyridine-2-carbonitrile,3-amino-6-phenyl-4-(trifluoromethyl)-SMR0002173183-amino-6-phenyl-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarbonitrile3-Amino-6-phenyl-4-trifluoromethyl-thieno[2,3-b]pyridine-2-carbonitrile3-AMINO-6-PHENYL-4-(TRIFLUOROMETHYL)THIENO(2,3-B)PYRIDINE-2-CARBONITRILE3-amino-6-phenyl-4-(trifluoromethyl)thiopheno[2,3-b]pyridine-2-carbonitrileEnamine_000942C15H8F3N3S
Show more names
AKOS BBS-000003993-Amino-4-trifluoromethyl-6-phenyl-2-cyanothieno[2,3-b]pyridine3-AMINO-6-PHENYL-4-(TRIFLUOROMETHYL)THEINO[2,3-B]PYRIDINE-2-CARBONITRILE3-Amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile97%3-Amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile 97%
cid_712450CHEMBL1559958BDBM33818DTXSID40351886HMS1396K18HMS2695A18CCG-55277SBB038291
Database identifiers
- CAS
104960-55-6- PubChem CID
- 712450
- DTXSID
DTXSID40351886- ChEMBL
CHEMBL1559958
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 455
Physicochemical properties
- Melting point
- 236 · 236-238°C
- CAS DataBase Reference
- 104960 · 104960-55-6(CAS DataBase Reference)
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 22 · 22-36/37/39
- RIDADR
- 3276 · 3276
- Hazard Note
- Irritant
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 3276
- hs_code
- 2934999090
- risk_code
- 20/21/22
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 22-36/37/39
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Compound notes
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