Organoheterocyclic compounds
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6-Chloropurine 98.0+%, TCI America™
CAS: 87-42-3 Molecular Formula: C5H3ClN4 Molecular Weight (g/mol): 154.557 MDL Number: MFCD00075825 InChI Key: ZKBQDFAWXLTYKS-UHFFFAOYSA-N Synonym: 6-chloropurine,6-chloro-9h-purine,1h-purine, 6-chloro,6-chloro-1h-purine,purine, 6-chloro,6-cp,6-chlorpurine,6-chloro purine,6-chloropurin,chloropurine, 6 PubChem CID: 5359277 IUPAC Name: 6-chloro-7H-purine SMILES: C1=NC2=C(N1)C(=NC=N2)Cl
| PubChem CID | 5359277 |
|---|---|
| CAS | 87-42-3 |
| Molecular Weight (g/mol) | 154.557 |
| MDL Number | MFCD00075825 |
| SMILES | C1=NC2=C(N1)C(=NC=N2)Cl |
| Synonym | 6-chloropurine,6-chloro-9h-purine,1h-purine, 6-chloro,6-chloro-1h-purine,purine, 6-chloro,6-cp,6-chlorpurine,6-chloro purine,6-chloropurin,chloropurine, 6 |
| IUPAC Name | 6-chloro-7H-purine |
| InChI Key | ZKBQDFAWXLTYKS-UHFFFAOYSA-N |
| Molecular Formula | C5H3ClN4 |
3-Phenylthiophene 95.0+%, TCI America™
CAS: 2404-87-7 Molecular Formula: C10H8S Molecular Weight (g/mol): 160.23 MDL Number: MFCD00114997 InChI Key: ZDQZVKVIYAPRON-UHFFFAOYSA-N PubChem CID: 75473 IUPAC Name: 3-phenylthiophene SMILES: S1C=CC(=C1)C1=CC=CC=C1
| PubChem CID | 75473 |
|---|---|
| CAS | 2404-87-7 |
| Molecular Weight (g/mol) | 160.23 |
| MDL Number | MFCD00114997 |
| SMILES | S1C=CC(=C1)C1=CC=CC=C1 |
| IUPAC Name | 3-phenylthiophene |
| InChI Key | ZDQZVKVIYAPRON-UHFFFAOYSA-N |
| Molecular Formula | C10H8S |
1,3,5-Triazine 98.0+%, TCI America™
CAS: 290-87-9 Molecular Formula: C3H3N3 Molecular Weight (g/mol): 81.08 MDL Number: MFCD00006044 InChI Key: JIHQDMXYYFUGFV-UHFFFAOYSA-N Synonym: s-triazine,sym-triazine,cyanidine,vedita 250,unii-8b5f4cm81e,vedita,1,5-triazine,hydrogen cyanide trimer,acmc-209h6t PubChem CID: 9262 ChEBI: CHEBI:30259 IUPAC Name: 1,3,5-triazine SMILES: C1=NC=NC=N1
| PubChem CID | 9262 |
|---|---|
| CAS | 290-87-9 |
| Molecular Weight (g/mol) | 81.08 |
| ChEBI | CHEBI:30259 |
| MDL Number | MFCD00006044 |
| SMILES | C1=NC=NC=N1 |
| Synonym | s-triazine,sym-triazine,cyanidine,vedita 250,unii-8b5f4cm81e,vedita,1,5-triazine,hydrogen cyanide trimer,acmc-209h6t |
| IUPAC Name | 1,3,5-triazine |
| InChI Key | JIHQDMXYYFUGFV-UHFFFAOYSA-N |
| Molecular Formula | C3H3N3 |
3,5-Dimethylisoxazole 99.0+%, TCI America™
CAS: 300-87-8 Molecular Formula: C5H7NO Molecular Weight (g/mol): 97.117 MDL Number: MFCD00003156 InChI Key: FICAQKBMCKEFDI-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazole,isoxazole, 3,5-dimethyl,3,5-dimethylisooxazole,3,5-dwumetyloizoksazolu,3,5-dwumetyloizoksazolu polish,3,5-dimethylisoxazol,pubchem8641,isoxazole,5-dimethyl,3,5-dimethyl-isoxazole PubChem CID: 9312 IUPAC Name: 3,5-dimethyl-1,2-oxazole SMILES: CC1=CC(=NO1)C
| PubChem CID | 9312 |
|---|---|
| CAS | 300-87-8 |
| Molecular Weight (g/mol) | 97.117 |
| MDL Number | MFCD00003156 |
| SMILES | CC1=CC(=NO1)C |
| Synonym | 3,5-dimethylisoxazole,isoxazole, 3,5-dimethyl,3,5-dimethylisooxazole,3,5-dwumetyloizoksazolu,3,5-dwumetyloizoksazolu polish,3,5-dimethylisoxazol,pubchem8641,isoxazole,5-dimethyl,3,5-dimethyl-isoxazole |
| IUPAC Name | 3,5-dimethyl-1,2-oxazole |
| InChI Key | FICAQKBMCKEFDI-UHFFFAOYSA-N |
| Molecular Formula | C5H7NO |
Gramine 98.0+%, TCI America™
CAS: 87-52-5 Molecular Formula: C11H14N2 Molecular Weight (g/mol): 174.247 MDL Number: MFCD00005629 InChI Key: OCDGBSUVYYVKQZ-UHFFFAOYSA-N Synonym: gramine,3-dimethylaminomethyl indole,donaxine,donaxin,gramin,1h-indole-3-methanamine, n,n-dimethyl,beta-dimethylaminomethylindole,1-1h-indol-3-yl-n,n-dimethylmethanamine,indol-3-ylmethyldimethylamine,1h-indol-3-ylmethyl dimethylamine PubChem CID: 6890 ChEBI: CHEBI:28948 IUPAC Name: 1-(1H-indol-3-yl)-N,N-dimethylmethanamine SMILES: CN(C)CC1=CNC2=CC=CC=C21
| PubChem CID | 6890 |
|---|---|
| CAS | 87-52-5 |
| Molecular Weight (g/mol) | 174.247 |
| ChEBI | CHEBI:28948 |
| MDL Number | MFCD00005629 |
| SMILES | CN(C)CC1=CNC2=CC=CC=C21 |
| Synonym | gramine,3-dimethylaminomethyl indole,donaxine,donaxin,gramin,1h-indole-3-methanamine, n,n-dimethyl,beta-dimethylaminomethylindole,1-1h-indol-3-yl-n,n-dimethylmethanamine,indol-3-ylmethyldimethylamine,1h-indol-3-ylmethyl dimethylamine |
| IUPAC Name | 1-(1H-indol-3-yl)-N,N-dimethylmethanamine |
| InChI Key | OCDGBSUVYYVKQZ-UHFFFAOYSA-N |
| Molecular Formula | C11H14N2 |
3-Indoleacetic Acid 98.0+%, TCI America™
CAS: 87-51-4 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00005636 InChI Key: SEOVTRFCIGRIMH-UHFFFAOYSA-N Synonym: indole-3-acetic acid,3-indoleacetic acid,heteroauxin,indoleacetic acid,1h-indole-3-acetic acid,2-1h-indol-3-yl acetic acid,rhizopin,1h-indol-3-ylacetic acid,indol-3-ylacetic acid,rhizopon a PubChem CID: 802 ChEBI: CHEBI:16411 IUPAC Name: 2-(1H-indol-3-yl)acetic acid SMILES: OC(=O)CC1=CNC2=CC=CC=C12
| PubChem CID | 802 |
|---|---|
| CAS | 87-51-4 |
| Molecular Weight (g/mol) | 175.19 |
| ChEBI | CHEBI:16411 |
| MDL Number | MFCD00005636 |
| SMILES | OC(=O)CC1=CNC2=CC=CC=C12 |
| Synonym | indole-3-acetic acid,3-indoleacetic acid,heteroauxin,indoleacetic acid,1h-indole-3-acetic acid,2-1h-indol-3-yl acetic acid,rhizopin,1h-indol-3-ylacetic acid,indol-3-ylacetic acid,rhizopon a |
| IUPAC Name | 2-(1H-indol-3-yl)acetic acid |
| InChI Key | SEOVTRFCIGRIMH-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
2-Fluoro-3-nitropyridine 98.0+%, TCI America™
CAS: 1480-87-1 Molecular Formula: C5H3FN2O2 Molecular Weight (g/mol): 142.09 MDL Number: MFCD03095068 InChI Key: QDKIYDGHCFZBGC-UHFFFAOYSA-N Synonym: 2-fluoro-3-nitro-pyridine,pyridine, 2-fluoro-3-nitro,pubchem1115,acmc-1bwlp,2-fluor-3-nitropyridine,2-fluoro-3-nitropyridine,ksc174g2n PubChem CID: 2762817 IUPAC Name: 2-fluoro-3-nitropyridine SMILES: [O-][N+](=O)C1=C(F)N=CC=C1
| PubChem CID | 2762817 |
|---|---|
| CAS | 1480-87-1 |
| Molecular Weight (g/mol) | 142.09 |
| MDL Number | MFCD03095068 |
| SMILES | [O-][N+](=O)C1=C(F)N=CC=C1 |
| Synonym | 2-fluoro-3-nitro-pyridine,pyridine, 2-fluoro-3-nitro,pubchem1115,acmc-1bwlp,2-fluor-3-nitropyridine,2-fluoro-3-nitropyridine,ksc174g2n |
| IUPAC Name | 2-fluoro-3-nitropyridine |
| InChI Key | QDKIYDGHCFZBGC-UHFFFAOYSA-N |
| Molecular Formula | C5H3FN2O2 |
Pyridine - Sulfur Trioxide Complex 95.0+%, TCI America™
CAS: 26412-87-3 Molecular Formula: C5H5NO3S Molecular Weight (g/mol): 159.16 MDL Number: MFCD00012437 InChI Key: UDYFLDICVHJSOY-UHFFFAOYSA-N Synonym: pyridine sulfur trioxide,sulfur trioxide pyridine complex,pyridine; sulfur trioxide,pyridine sulfotrioxide,pyridine compound with sulfur trioxide 1:1,sulfur trioxide, compd. with pyridine,pyridine-sulfur trioxide complex,active sulfure trioxide,sulfur trioxide-pyridine,pyridine-sulfur trioxide PubChem CID: 168533 IUPAC Name: pyridine; sulfonylideneoxidane SMILES: O=S(=O)=O.C1=CC=NC=C1
| PubChem CID | 168533 |
|---|---|
| CAS | 26412-87-3 |
| Molecular Weight (g/mol) | 159.16 |
| MDL Number | MFCD00012437 |
| SMILES | O=S(=O)=O.C1=CC=NC=C1 |
| Synonym | pyridine sulfur trioxide,sulfur trioxide pyridine complex,pyridine; sulfur trioxide,pyridine sulfotrioxide,pyridine compound with sulfur trioxide 1:1,sulfur trioxide, compd. with pyridine,pyridine-sulfur trioxide complex,active sulfure trioxide,sulfur trioxide-pyridine,pyridine-sulfur trioxide |
| IUPAC Name | pyridine; sulfonylideneoxidane |
| InChI Key | UDYFLDICVHJSOY-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO3S |
1-Butyl-3-methylimidazolium Thiocyanate 97.0+%, TCI America™
CAS: 344790-87-0 Molecular Formula: C9H15N3S Molecular Weight (g/mol): 197.3 MDL Number: MFCD06798181 InChI Key: SIXHYMZEOJSYQH-UHFFFAOYSA-M PubChem CID: 11424151 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;thiocyanate SMILES: CCCCN1C=C[N+](=C1)C.C(#N)[S-]
| PubChem CID | 11424151 |
|---|---|
| CAS | 344790-87-0 |
| Molecular Weight (g/mol) | 197.3 |
| MDL Number | MFCD06798181 |
| SMILES | CCCCN1C=C[N+](=C1)C.C(#N)[S-] |
| IUPAC Name | 1-butyl-3-methylimidazol-3-ium;thiocyanate |
| InChI Key | SIXHYMZEOJSYQH-UHFFFAOYSA-M |
| Molecular Formula | C9H15N3S |
3-(1-Piperazinyl)-1,2-benzisothiazole 98.0+%, TCI America™
CAS: 87691-87-0 Molecular Formula: C11H13N3S Molecular Weight (g/mol): 219.306 MDL Number: MFCD04117970 InChI Key: KRDOFMHJLWKXIU-UHFFFAOYSA-N PubChem CID: 2772144 IUPAC Name: 3-piperazin-1-yl-1,2-benzothiazole SMILES: C1CN(CCN1)C2=NSC3=CC=CC=C32
| PubChem CID | 2772144 |
|---|---|
| CAS | 87691-87-0 |
| Molecular Weight (g/mol) | 219.306 |
| MDL Number | MFCD04117970 |
| SMILES | C1CN(CCN1)C2=NSC3=CC=CC=C32 |
| IUPAC Name | 3-piperazin-1-yl-1,2-benzothiazole |
| InChI Key | KRDOFMHJLWKXIU-UHFFFAOYSA-N |
| Molecular Formula | C11H13N3S |
9-Benzoyl-3-bromo-9H-carbazole 98.0+%, TCI America™
CAS: 177775-87-0 Molecular Formula: C19H12BrNO Molecular Weight (g/mol): 350.215 InChI Key: CSLLZWBWBQIUIG-UHFFFAOYSA-N PubChem CID: 58556481 IUPAC Name: (3-bromocarbazol-9-yl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)Br)C4=CC=CC=C42
| PubChem CID | 58556481 |
|---|---|
| CAS | 177775-87-0 |
| Molecular Weight (g/mol) | 350.215 |
| SMILES | C1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)Br)C4=CC=CC=C42 |
| IUPAC Name | (3-bromocarbazol-9-yl)-phenylmethanone |
| InChI Key | CSLLZWBWBQIUIG-UHFFFAOYSA-N |
| Molecular Formula | C19H12BrNO |
2,5-Dibromothieno[3,2-b]thiophene 98.0+%, TCI America™
CAS: 25121-87-3 Molecular Formula: C6H2Br2S2 Molecular Weight (g/mol): 298.01 MDL Number: MFCD03931293 InChI Key: APDAUBNBDJUQGW-UHFFFAOYSA-N PubChem CID: 3597455 IUPAC Name: 2,5-dibromothieno[3,2-b]thiophene SMILES: C1=C(SC2=C1SC(=C2)Br)Br
| PubChem CID | 3597455 |
|---|---|
| CAS | 25121-87-3 |
| Molecular Weight (g/mol) | 298.01 |
| MDL Number | MFCD03931293 |
| SMILES | C1=C(SC2=C1SC(=C2)Br)Br |
| IUPAC Name | 2,5-dibromothieno[3,2-b]thiophene |
| InChI Key | APDAUBNBDJUQGW-UHFFFAOYSA-N |
| Molecular Formula | C6H2Br2S2 |
3,4-Dihydro-2H-pyran 97.0+%, TCI America™
CAS: 110-87-2 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00006558 InChI Key: BUDQDWGNQVEFAC-UHFFFAOYSA-N Synonym: dihydropyran,3,4-dihydropyran,2,3-dihydropyran,2h-3,4-dihydropyran,2,3-dihydro-4h-pyran,dihydro-2h-pyran,2h-pyran, dihydro,2h-pyran, 3,4-dihydro,5,6-dihydro-4h-pyran,dihydropyrane PubChem CID: 8080 IUPAC Name: 3,4-dihydro-2H-pyran SMILES: C1CC=COC1
| PubChem CID | 8080 |
|---|---|
| CAS | 110-87-2 |
| Molecular Weight (g/mol) | 84.118 |
| MDL Number | MFCD00006558 |
| SMILES | C1CC=COC1 |
| Synonym | dihydropyran,3,4-dihydropyran,2,3-dihydropyran,2h-3,4-dihydropyran,2,3-dihydro-4h-pyran,dihydro-2h-pyran,2h-pyran, dihydro,2h-pyran, 3,4-dihydro,5,6-dihydro-4h-pyran,dihydropyrane |
| IUPAC Name | 3,4-dihydro-2H-pyran |
| InChI Key | BUDQDWGNQVEFAC-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
2-Methyl-3-nitropyridine 98.0+%, TCI America™
CAS: 18699-87-1 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD04114137 InChI Key: CCFGTKQIRWHYTB-UHFFFAOYSA-N Synonym: 2-methyl-3-nitro-pyridine,3-nitro-2-picoline,3-nitropicoline,3-nitro-2-methylpyridine,pyridine, 2-methylnitro,pyridine, 2-methyl-3-nitro-9ci,nitropicoline,zlchem 137,acmc-209ep0,pyridine, 2-methyl-3-nitro PubChem CID: 329360 IUPAC Name: 2-methyl-3-nitropyridine SMILES: CC1=NC=CC=C1[N+]([O-])=O
| PubChem CID | 329360 |
|---|---|
| CAS | 18699-87-1 |
| Molecular Weight (g/mol) | 138.13 |
| MDL Number | MFCD04114137 |
| SMILES | CC1=NC=CC=C1[N+]([O-])=O |
| Synonym | 2-methyl-3-nitro-pyridine,3-nitro-2-picoline,3-nitropicoline,3-nitro-2-methylpyridine,pyridine, 2-methylnitro,pyridine, 2-methyl-3-nitro-9ci,nitropicoline,zlchem 137,acmc-209ep0,pyridine, 2-methyl-3-nitro |
| IUPAC Name | 2-methyl-3-nitropyridine |
| InChI Key | CCFGTKQIRWHYTB-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O2 |
1,4-Diazabicyclo[2.2.2]octane Dihydrochloride 98.0+%, TCI America™
CAS: 49563-87-3 Molecular Formula: C6H14Cl2N2 Molecular Weight (g/mol): 185.092 InChI Key: FXNCMDQKBKIDGU-UHFFFAOYSA-N PubChem CID: 12254369 IUPAC Name: 1,4-diazabicyclo[2.2.2]octane;dihydrochloride SMILES: C1CN2CCN1CC2.Cl.Cl
| PubChem CID | 12254369 |
|---|---|
| CAS | 49563-87-3 |
| Molecular Weight (g/mol) | 185.092 |
| SMILES | C1CN2CCN1CC2.Cl.Cl |
| IUPAC Name | 1,4-diazabicyclo[2.2.2]octane;dihydrochloride |
| InChI Key | FXNCMDQKBKIDGU-UHFFFAOYSA-N |
| Molecular Formula | C6H14Cl2N2 |