4-(4-Methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
Basic information
- CAS
213462-19-2- Standard SMILES
COc1ccc(C2NCCc3sccc32)cc1- InChIKey
YZMKEDMYYJQGRD-UHFFFAOYSA-N- Molecular formula
- C14H15NOS
- Average molar mass
- 245.34 g/mol
- Monoisotopic mass
- 245.08743528
Names & identifiers
- Preferred name
- 4-(4-Methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
- IUPAC
- 4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
- English name
- 4-(4-Methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
- Molecular formula
- C14H15NOS
- Molecular weight
- 245.34
Names & synonyms
213462-19-24-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridineMFCD001770964-(4-Methoxyphenyl)-4,5,6,7-tetrahydrothieno-[3,2-c]pyridineMaybridge1_0073844-(4-Methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine, tech4-(4-methoxyphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridineOprea1_141815MLS000763669orb3030648SCHEMBL7889930CHEMBL1732433
Show more names
4-(4,5,6,7-Tetrahydrothieno[3,2-c]pyridin-4-yl)anisoleThieno[3,2-c]pyridine, 4,5,6,7-tetrahydro-4-(4-methoxyphenyl)-methyl 4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)phenyl ether
HMS562H14DTXSID80371588HMS2620K04Fr13573Thieno[3,2-c]pyridine,4,5,6,7-tetrahydro-4-(4-methoxyphenyl)-SBB100025AKOS015993246SMR000337261
Database identifiers
- CAS
213462-19-2- PubChem CID
- 2736769
- DTXSID
DTXSID80371588- ChEMBL
CHEMBL1732433
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 49.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Melting point
- 69 °C · 69 °C
- Boiling point
- 383.4 · 383.4±42.0 °C(Predicted)
- Density
- 1.168 · 1.168±0.06 g/cm3(Predicted)
- pka
- 8.66 · 8.66±0.40(Predicted)
- form
- solid
- color
- White/cream
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 310 · P310-P260-P280
- Hazard Codes
- Xi
- HS Code
- 2933399990 · 2933399990
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
- hs_code
- 2933399990
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- Hazard statements
- H314
- Precautionary statements
- P310-P260-P280
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Compound notes
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