Organoheterocyclic compounds
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1,2-Di(4-pyridyl)ethane 98.0+%, TCI America™
CAS: 4916-57-8 Molecular Formula: C12H12N2 Molecular Weight (g/mol): 184.242 MDL Number: MFCD00006451 InChI Key: DQRKTVIJNCVZAX-UHFFFAOYSA-N Synonym: 1,2-bis 4-pyridyl ethane,1,2-di pyridin-4-yl ethane,4,4'-ethylenedipyridine,1,2-di 4-pyridyl ethane,4,4'-ethane-1,2-diyldipyridine,unii-wo1evc302b,pyridine, 4,4'-1,2-ethanediyl bis,wo1evc302b,chembl70083,4-2-pyridin-4-ylethyl pyridine PubChem CID: 78630 IUPAC Name: 4-(2-pyridin-4-ylethyl)pyridine SMILES: C1=CN=CC=C1CCC2=CC=NC=C2
| PubChem CID | 78630 |
|---|---|
| CAS | 4916-57-8 |
| Molecular Weight (g/mol) | 184.242 |
| MDL Number | MFCD00006451 |
| SMILES | C1=CN=CC=C1CCC2=CC=NC=C2 |
| Synonym | 1,2-bis 4-pyridyl ethane,1,2-di pyridin-4-yl ethane,4,4'-ethylenedipyridine,1,2-di 4-pyridyl ethane,4,4'-ethane-1,2-diyldipyridine,unii-wo1evc302b,pyridine, 4,4'-1,2-ethanediyl bis,wo1evc302b,chembl70083,4-2-pyridin-4-ylethyl pyridine |
| IUPAC Name | 4-(2-pyridin-4-ylethyl)pyridine |
| InChI Key | DQRKTVIJNCVZAX-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2 |
Dibenzothiophene 98.0+%, TCI America™
CAS: 132-65-0 Molecular Formula: C12H8S Molecular Weight (g/mol): 184.256 MDL Number: MFCD00004969 InChI Key: IYYZUPMFVPLQIF-UHFFFAOYSA-N Synonym: diphenylene sulfide,dibenzo b,d thiophene,9-thiafluorene,alpha-thiafluorene,2,2'-biphenylylene sulfide,usan,unii-z3d4aj1r48,1,1'-biphenyl-2,2'-diyl sulfide,.alpha.-thiafluorene PubChem CID: 3023 ChEBI: CHEBI:23681 IUPAC Name: dibenzothiophene SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3S2
| PubChem CID | 3023 |
|---|---|
| CAS | 132-65-0 |
| Molecular Weight (g/mol) | 184.256 |
| ChEBI | CHEBI:23681 |
| MDL Number | MFCD00004969 |
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3S2 |
| Synonym | diphenylene sulfide,dibenzo b,d thiophene,9-thiafluorene,alpha-thiafluorene,2,2'-biphenylylene sulfide,usan,unii-z3d4aj1r48,1,1'-biphenyl-2,2'-diyl sulfide,.alpha.-thiafluorene |
| IUPAC Name | dibenzothiophene |
| InChI Key | IYYZUPMFVPLQIF-UHFFFAOYSA-N |
| Molecular Formula | C12H8S |
2-Propylthiophene 98.0+%, TCI America™
CAS: 1551-27-5 Molecular Formula: C7H10S Molecular Weight (g/mol): 126.217 MDL Number: MFCD00014533 InChI Key: BTXIJTYYMLCUHI-UHFFFAOYSA-N Synonym: 2-n-propylthiophene,thiophene, 2-propyl,isopropylthiophene,2-n-propyl thiophene,2-propyl-thiophene,2-propyl thiophene,thiophene, propyl,thiophene,2-propyl,2-propylthiophene,4-hydroxy-benzenesulfonamide PubChem CID: 73771 IUPAC Name: 2-propylthiophene SMILES: CCCC1=CC=CS1
| PubChem CID | 73771 |
|---|---|
| CAS | 1551-27-5 |
| Molecular Weight (g/mol) | 126.217 |
| MDL Number | MFCD00014533 |
| SMILES | CCCC1=CC=CS1 |
| Synonym | 2-n-propylthiophene,thiophene, 2-propyl,isopropylthiophene,2-n-propyl thiophene,2-propyl-thiophene,2-propyl thiophene,thiophene, propyl,thiophene,2-propyl,2-propylthiophene,4-hydroxy-benzenesulfonamide |
| IUPAC Name | 2-propylthiophene |
| InChI Key | BTXIJTYYMLCUHI-UHFFFAOYSA-N |
| Molecular Formula | C7H10S |
2-Furaldehyde Diethyl Acetal 98.0+%, TCI America™
CAS: 13529-27-6 Molecular Formula: C9H14O3 Molecular Weight (g/mol): 170.21 MDL Number: MFCD00003245 InChI Key: SEILDMUKBMYIEZ-UHFFFAOYSA-N Synonym: 2-diethoxymethyl furan,2-furaldehyde diethyl acetal,furfural diethyl acetal,furan, 2-diethoxymethyl,unii-04b3gme3ij,2-furaldehydediethylacetal,2-diethoxymethyl-furan,furan, diethoxymethyl,2-furaldehyde diethylacetal,04b3gme3ij PubChem CID: 83553 ChEBI: CHEBI:34769 IUPAC Name: 2-(diethoxymethyl)furan SMILES: CCOC(OCC)C1=CC=CO1
| PubChem CID | 83553 |
|---|---|
| CAS | 13529-27-6 |
| Molecular Weight (g/mol) | 170.21 |
| ChEBI | CHEBI:34769 |
| MDL Number | MFCD00003245 |
| SMILES | CCOC(OCC)C1=CC=CO1 |
| Synonym | 2-diethoxymethyl furan,2-furaldehyde diethyl acetal,furfural diethyl acetal,furan, 2-diethoxymethyl,unii-04b3gme3ij,2-furaldehydediethylacetal,2-diethoxymethyl-furan,furan, diethoxymethyl,2-furaldehyde diethylacetal,04b3gme3ij |
| IUPAC Name | 2-(diethoxymethyl)furan |
| InChI Key | SEILDMUKBMYIEZ-UHFFFAOYSA-N |
| Molecular Formula | C9H14O3 |
2,6-Bis(2-benzimidazolyl)pyridine 98.0+%, TCI America™
CAS: 28020-73-7 Molecular Formula: C19H13N5 Molecular Weight (g/mol): 311.35 MDL Number: MFCD00134500 InChI Key: JBKICBDXAZNSKA-UHFFFAOYSA-N PubChem CID: 738986 IUPAC Name: 2-[6-(1H-1,3-benzodiazol-2-yl)pyridin-2-yl]-1H-1,3-benzodiazole SMILES: N1C2=CC=CC=C2N=C1C1=CC=CC(=N1)C1=NC2=CC=CC=C2N1
| PubChem CID | 738986 |
|---|---|
| CAS | 28020-73-7 |
| Molecular Weight (g/mol) | 311.35 |
| MDL Number | MFCD00134500 |
| SMILES | N1C2=CC=CC=C2N=C1C1=CC=CC(=N1)C1=NC2=CC=CC=C2N1 |
| IUPAC Name | 2-[6-(1H-1,3-benzodiazol-2-yl)pyridin-2-yl]-1H-1,3-benzodiazole |
| InChI Key | JBKICBDXAZNSKA-UHFFFAOYSA-N |
| Molecular Formula | C19H13N5 |
3-(2-Ethylhexyl)thiophene 97.0+%, TCI America™
CAS: 121134-38-1 Molecular Formula: C12H20S Molecular Weight (g/mol): 196.352 MDL Number: MFCD02260336 InChI Key: HWMQCIZYXLAJKM-UHFFFAOYSA-N PubChem CID: 14419543 IUPAC Name: 3-(2-ethylhexyl)thiophene SMILES: CCCCC(CC)CC1=CSC=C1
| PubChem CID | 14419543 |
|---|---|
| CAS | 121134-38-1 |
| Molecular Weight (g/mol) | 196.352 |
| MDL Number | MFCD02260336 |
| SMILES | CCCCC(CC)CC1=CSC=C1 |
| IUPAC Name | 3-(2-ethylhexyl)thiophene |
| InChI Key | HWMQCIZYXLAJKM-UHFFFAOYSA-N |
| Molecular Formula | C12H20S |
Thiazole 98.0+%, TCI America™
CAS: 288-47-1 Molecular Formula: C3H3NS Molecular Weight (g/mol): 85.12 MDL Number: MFCD00005315 InChI Key: FZWLAAWBMGSTSO-UHFFFAOYSA-N Synonym: thiazole,thiazol,unii-320rcw8pef,fema no. 3615,ccris 3205,320rcw8pef,lom,racemic thiazole,5h-thiazol-1-ium PubChem CID: 9256 ChEBI: CHEBI:43732 IUPAC Name: 1,3-thiazole SMILES: S1C=CN=C1
| PubChem CID | 9256 |
|---|---|
| CAS | 288-47-1 |
| Molecular Weight (g/mol) | 85.12 |
| ChEBI | CHEBI:43732 |
| MDL Number | MFCD00005315 |
| SMILES | S1C=CN=C1 |
| Synonym | thiazole,thiazol,unii-320rcw8pef,fema no. 3615,ccris 3205,320rcw8pef,lom,racemic thiazole,5h-thiazol-1-ium |
| IUPAC Name | 1,3-thiazole |
| InChI Key | FZWLAAWBMGSTSO-UHFFFAOYSA-N |
| Molecular Formula | C3H3NS |
2-Methylimidazole 98.0+%, TCI America™
CAS: 693-98-1 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005190 InChI Key: LXBGSDVWAMZHDD-UHFFFAOYSA-N Synonym: 2-methylimidazole,1h-imidazole, 2-methyl,imidazole, 2-methyl,2-methyl imidazole,2-methylglyoxaline,unii-t0049z45lz,ccris 2459,dsstox_cid_2107,dsstox_rid_76489,dsstox_gsid_22107 PubChem CID: 12749 IUPAC Name: 2-methyl-1H-imidazole SMILES: CC1=NC=CN1
| PubChem CID | 12749 |
|---|---|
| CAS | 693-98-1 |
| Molecular Weight (g/mol) | 82.11 |
| MDL Number | MFCD00005190 |
| SMILES | CC1=NC=CN1 |
| Synonym | 2-methylimidazole,1h-imidazole, 2-methyl,imidazole, 2-methyl,2-methyl imidazole,2-methylglyoxaline,unii-t0049z45lz,ccris 2459,dsstox_cid_2107,dsstox_rid_76489,dsstox_gsid_22107 |
| IUPAC Name | 2-methyl-1H-imidazole |
| InChI Key | LXBGSDVWAMZHDD-UHFFFAOYSA-N |
| Molecular Formula | C4H6N2 |
4(5)-Cyanomethylimidazole 99.0+%, TCI America™
CAS: 18502-05-1 Molecular Formula: C5H5N3 Molecular Weight (g/mol): 107.116 MDL Number: MFCD00070306 InChI Key: DQZBHUXBFNBJLX-UHFFFAOYSA-N Synonym: 2-1h-imidazol-4-yl acetonitrile,1h-imidazole-5-acetonitrile,1h-imidazole-4-acetonitrile,2-1h-imidazol-5-yl acetonitrile,1h-imidazol-4-yl-acetonitrile,4 5-cyanomethylimidazole,1h-imidazol-4-yl acetonitrile,2-3h-imidazol-4-yl acetonitrile,4-imidazolyl acetonitrile,1h imidazole-4-acetonitrile PubChem CID: 571973 IUPAC Name: 2-(1H-imidazol-5-yl)acetonitrile SMILES: C1=C(NC=N1)CC#N
| PubChem CID | 571973 |
|---|---|
| CAS | 18502-05-1 |
| Molecular Weight (g/mol) | 107.116 |
| MDL Number | MFCD00070306 |
| SMILES | C1=C(NC=N1)CC#N |
| Synonym | 2-1h-imidazol-4-yl acetonitrile,1h-imidazole-5-acetonitrile,1h-imidazole-4-acetonitrile,2-1h-imidazol-5-yl acetonitrile,1h-imidazol-4-yl-acetonitrile,4 5-cyanomethylimidazole,1h-imidazol-4-yl acetonitrile,2-3h-imidazol-4-yl acetonitrile,4-imidazolyl acetonitrile,1h imidazole-4-acetonitrile |
| IUPAC Name | 2-(1H-imidazol-5-yl)acetonitrile |
| InChI Key | DQZBHUXBFNBJLX-UHFFFAOYSA-N |
| Molecular Formula | C5H5N3 |
2-Vinylpyridine (stabilized with TBC) 97.0+%, TCI America™
CAS: 100-69-6 Molecular Formula: C7H7N Molecular Weight (g/mol): 105.14 MDL Number: MFCD00006355 InChI Key: KGIGUEBEKRSTEW-UHFFFAOYSA-N Synonym: 2-vinylpyridine,pyridine, 2-ethenyl,pyridine, 2-vinyl,pyridine, ethenyl,vinylpyridine,2-vinyl pyridine,alpha-vinylpyridine,vinyl pyridine,unii-dt4uv4nnkx,ccris 5238 PubChem CID: 7521 IUPAC Name: 2-ethenylpyridine SMILES: C=CC1=CC=CC=N1
| PubChem CID | 7521 |
|---|---|
| CAS | 100-69-6 |
| Molecular Weight (g/mol) | 105.14 |
| MDL Number | MFCD00006355 |
| SMILES | C=CC1=CC=CC=N1 |
| Synonym | 2-vinylpyridine,pyridine, 2-ethenyl,pyridine, 2-vinyl,pyridine, ethenyl,vinylpyridine,2-vinyl pyridine,alpha-vinylpyridine,vinyl pyridine,unii-dt4uv4nnkx,ccris 5238 |
| IUPAC Name | 2-ethenylpyridine |
| InChI Key | KGIGUEBEKRSTEW-UHFFFAOYSA-N |
| Molecular Formula | C7H7N |
2-Phenylbenzothiazole 98.0+%, TCI America™
CAS: 883-93-2 Molecular Formula: C13H9NS Molecular Weight (g/mol): 211.28 MDL Number: MFCD00005777 InChI Key: XBHOUXSGHYZCNH-UHFFFAOYSA-N Synonym: 2-phenylbenzothiazole,2-phenylbenzo d thiazole,benzothiazole, 2-phenyl,unii-fo573g4bgt,2-phenyl benzothiazole,2-phenylbenzthiazole,fo573g4bgt,wln: t56 bn dsj cr,phenyl-benzothiazole,benzothiazole,phenyl PubChem CID: 13439 IUPAC Name: 2-phenyl-1,3-benzothiazole SMILES: S1C2=CC=CC=C2N=C1C1=CC=CC=C1
| PubChem CID | 13439 |
|---|---|
| CAS | 883-93-2 |
| Molecular Weight (g/mol) | 211.28 |
| MDL Number | MFCD00005777 |
| SMILES | S1C2=CC=CC=C2N=C1C1=CC=CC=C1 |
| Synonym | 2-phenylbenzothiazole,2-phenylbenzo d thiazole,benzothiazole, 2-phenyl,unii-fo573g4bgt,2-phenyl benzothiazole,2-phenylbenzthiazole,fo573g4bgt,wln: t56 bn dsj cr,phenyl-benzothiazole,benzothiazole,phenyl |
| IUPAC Name | 2-phenyl-1,3-benzothiazole |
| InChI Key | XBHOUXSGHYZCNH-UHFFFAOYSA-N |
| Molecular Formula | C13H9NS |
1-Ethyl-3-methylimidazolium Tetrafluoroborate 97.0+%, TCI America™
CAS: 143314-16-3 Molecular Formula: C6H11BF4N2 Molecular Weight (g/mol): 197.97 MDL Number: MFCD00216668 InChI Key: CUNYTRQQXKCRTJ-UHFFFAOYSA-N Synonym: 1-ethyl-3-methylimidazolium tetrafluoroborate,1-ethyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate,emimbf4,basionics™ ee 03,acmc-209cq9,dsstox_cid_29074,dsstox_rid_83293,dsstox_gsid_49218,ksc174g8n,1-methyl-3-ethylimidazolium tetrafluoroborate PubChem CID: 2769348 IUPAC Name: 1-ethyl-3-methyl-1H-imidazol-3-ium; tetrafluoroboranuide SMILES: F[B-](F)(F)F.CCN1C=C[N+](C)=C1
| PubChem CID | 2769348 |
|---|---|
| CAS | 143314-16-3 |
| Molecular Weight (g/mol) | 197.97 |
| MDL Number | MFCD00216668 |
| SMILES | F[B-](F)(F)F.CCN1C=C[N+](C)=C1 |
| Synonym | 1-ethyl-3-methylimidazolium tetrafluoroborate,1-ethyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate,emimbf4,basionics™ ee 03,acmc-209cq9,dsstox_cid_29074,dsstox_rid_83293,dsstox_gsid_49218,ksc174g8n,1-methyl-3-ethylimidazolium tetrafluoroborate |
| IUPAC Name | 1-ethyl-3-methyl-1H-imidazol-3-ium; tetrafluoroboranuide |
| InChI Key | CUNYTRQQXKCRTJ-UHFFFAOYSA-N |
| Molecular Formula | C6H11BF4N2 |
1-Ethyl-3-methylimidazolium Hexafluorophosphate 98.0+%, TCI America™
CAS: 155371-19-0 Molecular Formula: C6H11F6N2P Molecular Weight (g/mol): 256.132 MDL Number: MFCD00216703 InChI Key: DPDAKOVGQUGTHH-UHFFFAOYSA-N Synonym: 1-ethyl-3-methylimidazolium hexafluorophosphate,1-ethyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,emimpf6,dsstox_cid_27897,dsstox_rid_82650,dsstox_gsid_47921,ksc174g8p,1-ethyl-3-methylimidazol-3-ium hexafluorophosphate,1-ethyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate,1-ethyl-3-methylimidazolium hexafluorophosphate hplc PubChem CID: 2758873 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;hexafluorophosphate SMILES: CCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F
| PubChem CID | 2758873 |
|---|---|
| CAS | 155371-19-0 |
| Molecular Weight (g/mol) | 256.132 |
| MDL Number | MFCD00216703 |
| SMILES | CCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F |
| Synonym | 1-ethyl-3-methylimidazolium hexafluorophosphate,1-ethyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate v,emimpf6,dsstox_cid_27897,dsstox_rid_82650,dsstox_gsid_47921,ksc174g8p,1-ethyl-3-methylimidazol-3-ium hexafluorophosphate,1-ethyl-3-methyl-1h-imidazol-3-ium hexafluorophosphate,1-ethyl-3-methylimidazolium hexafluorophosphate hplc |
| IUPAC Name | 1-ethyl-3-methylimidazol-3-ium;hexafluorophosphate |
| InChI Key | DPDAKOVGQUGTHH-UHFFFAOYSA-N |
| Molecular Formula | C6H11F6N2P |
1,3-Di(1-adamantyl)imidazolium Tetrafluoroborate 96.0+%, TCI America™
CAS: 286014-42-4 Molecular Formula: C23H33BF4N2 Molecular Weight (g/mol): 424.335 MDL Number: MFCD04973311 InChI Key: KVWCCJYLKCSVME-UHFFFAOYSA-N Synonym: 1,3-bis 1-adamantyl imidazolium tetrafluoroborate,1,3-di 1-adamantyl imidazolium tetrafluoroborate,1,3-di adamantan-1-yl-1h-imidazol-3-ium tetrafluoroborate,1,3-bis adamantan-1-yl-1??-imidazol-1-ylium tetrafluoroborate,iad.hbf4,acmc-209h3n,1,3-diadamantyl-imidazolium tetrafluoroborate,1,3-di 1-adamantyl imidazoliumtetrafluoroborate,1,3-bis tricyclo 3.3.1.13,7 dec-1-yl-1h-imidazolium tetrafluoroborate PubChem CID: 16218105 IUPAC Name: 1,3-bis(1-adamantyl)imidazol-1-ium;tetrafluoroborate SMILES: [B-](F)(F)(F)F.C1C2CC3CC1CC(C2)(C3)N4C=C[N+](=C4)C56CC7CC(C5)CC(C7)C6
| PubChem CID | 16218105 |
|---|---|
| CAS | 286014-42-4 |
| Molecular Weight (g/mol) | 424.335 |
| MDL Number | MFCD04973311 |
| SMILES | [B-](F)(F)(F)F.C1C2CC3CC1CC(C2)(C3)N4C=C[N+](=C4)C56CC7CC(C5)CC(C7)C6 |
| Synonym | 1,3-bis 1-adamantyl imidazolium tetrafluoroborate,1,3-di 1-adamantyl imidazolium tetrafluoroborate,1,3-di adamantan-1-yl-1h-imidazol-3-ium tetrafluoroborate,1,3-bis adamantan-1-yl-1??-imidazol-1-ylium tetrafluoroborate,iad.hbf4,acmc-209h3n,1,3-diadamantyl-imidazolium tetrafluoroborate,1,3-di 1-adamantyl imidazoliumtetrafluoroborate,1,3-bis tricyclo 3.3.1.13,7 dec-1-yl-1h-imidazolium tetrafluoroborate |
| IUPAC Name | 1,3-bis(1-adamantyl)imidazol-1-ium;tetrafluoroborate |
| InChI Key | KVWCCJYLKCSVME-UHFFFAOYSA-N |
| Molecular Formula | C23H33BF4N2 |
1-Butyl-2,3-dimethylimidazolium Hexafluorophosphate 97.0+%, TCI America™
CAS: 227617-70-1 Molecular Formula: C9H17F6N2P Molecular Weight (g/mol): 298.21 MDL Number: MFCD03790877 InChI Key: JWFPQAXAGSAKRF-UHFFFAOYSA-N Synonym: 1-butyl-2,3-dimethylimidazolium hexafluorophosphate,1-butyl-2,3-dimethyl-1h-imidazol-3-ium hexafluorophosphate v,1-butyl-2,3-dimethylimidazol-1-ium hexafluorophosphate,3-butyl-1,2-dimethylimidazol-1-ium hexafluorophosphate,acmc-209fyn,bdmim pf6,c4c1mim pf6,c4mmim pf6,dsstox_cid_27883,dsstox_rid_82636 PubChem CID: 11243457 IUPAC Name: 1-butyl-2,3-dimethyl-1H-imidazol-3-ium; hexafluoro-λ⁵-phosphanuide SMILES: F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1C
| PubChem CID | 11243457 |
|---|---|
| CAS | 227617-70-1 |
| Molecular Weight (g/mol) | 298.21 |
| MDL Number | MFCD03790877 |
| SMILES | F[P-](F)(F)(F)(F)F.CCCCN1C=C[N+](C)=C1C |
| Synonym | 1-butyl-2,3-dimethylimidazolium hexafluorophosphate,1-butyl-2,3-dimethyl-1h-imidazol-3-ium hexafluorophosphate v,1-butyl-2,3-dimethylimidazol-1-ium hexafluorophosphate,3-butyl-1,2-dimethylimidazol-1-ium hexafluorophosphate,acmc-209fyn,bdmim pf6,c4c1mim pf6,c4mmim pf6,dsstox_cid_27883,dsstox_rid_82636 |
| IUPAC Name | 1-butyl-2,3-dimethyl-1H-imidazol-3-ium; hexafluoro-λ⁵-phosphanuide |
| InChI Key | JWFPQAXAGSAKRF-UHFFFAOYSA-N |
| Molecular Formula | C9H17F6N2P |