2-(Thiophen-2-yl)indolizine
Basic information
- CAS
169210-29-1- Standard SMILES
c1csc(-c2cc3ccccn3c2)c1- InChIKey
JVEJVHMWMFXRDM-UHFFFAOYSA-N- Molecular formula
- C12H9NS
- Average molar mass
- 199.27 g/mol
- Monoisotopic mass
- 199.04557046
Names & identifiers
- Preferred name
- 2-(Thiophen-2-yl)indolizine
- IUPAC
- 2-thiophen-2-ylindolizine
- English name
- 2-Thiophen-2-yl-indolizine
- Molecular formula
- C12H9NS
- Molecular weight
- 199.27
Names & synonyms
2-(thiophen-2-yl)indolizine169210-29-12-THIOPHEN-2-YL-INDOLIZINE2-thiophen-2-ylindolizine2-(2-thienyl)indolizineMFCD00729142Indolizine, 2-(2-thienyl)-2-indolizin-2-ylthiopheneIFLab1_000405SCHEMBL3884273CHEMBL1916629DTXSID10357390
Show more names
JVEJVHMWMFXRDM-UHFFFAOYSA-NHMS1413C09STK524057AKOS002232684IDI1_008624NCGC00337032-01ST102566DB-043783
Database identifiers
- CAS
169210-29-1- PubChem CID
- 853043
- DTXSID
DTXSID10357390- ChEMBL
CHEMBL1916629
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- 177 °C · 177 °C
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
2 records
Compound notes
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