Organoheterocyclic compounds
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5,6-Difluoro-2,1,3-benzothiadiazole 98.0+%, TCI America™
CAS: 1293389-28-2 Molecular Formula: C6H2F2N2S Molecular Weight (g/mol): 172.15 MDL Number: MFCD28100486 InChI Key: ZKBRJEYUJNJNCO-UHFFFAOYSA-N PubChem CID: 66554157 IUPAC Name: 5,6-difluoro-2,1,3-benzothiadiazole SMILES: FC1=CC2=NSN=C2C=C1F
| PubChem CID | 66554157 |
|---|---|
| CAS | 1293389-28-2 |
| Molecular Weight (g/mol) | 172.15 |
| MDL Number | MFCD28100486 |
| SMILES | FC1=CC2=NSN=C2C=C1F |
| IUPAC Name | 5,6-difluoro-2,1,3-benzothiadiazole |
| InChI Key | ZKBRJEYUJNJNCO-UHFFFAOYSA-N |
| Molecular Formula | C6H2F2N2S |
2,6-Diiodopyridine 97.0+%, TCI America™
CAS: 53710-17-1 Molecular Formula: C5H3I2N Molecular Weight (g/mol): 330.895 MDL Number: MFCD07366728 InChI Key: IHBAEQUKKOAEES-UHFFFAOYSA-N PubChem CID: 11427514 IUPAC Name: 2,6-diiodopyridine SMILES: C1=CC(=NC(=C1)I)I
| PubChem CID | 11427514 |
|---|---|
| CAS | 53710-17-1 |
| Molecular Weight (g/mol) | 330.895 |
| MDL Number | MFCD07366728 |
| SMILES | C1=CC(=NC(=C1)I)I |
| IUPAC Name | 2,6-diiodopyridine |
| InChI Key | IHBAEQUKKOAEES-UHFFFAOYSA-N |
| Molecular Formula | C5H3I2N |
2,7-Dibromo-9-(4-bromophenyl)-9H-carbazole 98.0+%, TCI America™
CAS: 1313900-20-7 Molecular Formula: C18H10Br3N Molecular Weight (g/mol): 479.997 InChI Key: MKSHSKZVLIHXMT-UHFFFAOYSA-N PubChem CID: 129317820 IUPAC Name: 2,7-dibromo-9-(4-bromophenyl)carbazole SMILES: C1=CC(=CC=C1N2C3=C(C=CC(=C3)Br)C4=C2C=C(C=C4)Br)Br
| PubChem CID | 129317820 |
|---|---|
| CAS | 1313900-20-7 |
| Molecular Weight (g/mol) | 479.997 |
| SMILES | C1=CC(=CC=C1N2C3=C(C=CC(=C3)Br)C4=C2C=C(C=C4)Br)Br |
| IUPAC Name | 2,7-dibromo-9-(4-bromophenyl)carbazole |
| InChI Key | MKSHSKZVLIHXMT-UHFFFAOYSA-N |
| Molecular Formula | C18H10Br3N |
Methyl 3-Hydroxy-2-pyridinecarboxylate 98.0+%, TCI America™
CAS: 62733-99-7 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00661311 InChI Key: MHKKUZDJUGIOBC-UHFFFAOYSA-N Synonym: 3-Hydroxy-2-pyridinecarboxylic Acid Methyl Ester, Methyl 3-Hydroxypicolinate, 3-Hydroxypicolinic Acid Methyl Ester PubChem CID: 819341 IUPAC Name: methyl 3-hydroxypyridine-2-carboxylate SMILES: COC(=O)C1=C(O)C=CC=N1
| PubChem CID | 819341 |
|---|---|
| CAS | 62733-99-7 |
| Molecular Weight (g/mol) | 153.14 |
| MDL Number | MFCD00661311 |
| SMILES | COC(=O)C1=C(O)C=CC=N1 |
| Synonym | 3-Hydroxy-2-pyridinecarboxylic Acid Methyl Ester, Methyl 3-Hydroxypicolinate, 3-Hydroxypicolinic Acid Methyl Ester |
| IUPAC Name | methyl 3-hydroxypyridine-2-carboxylate |
| InChI Key | MHKKUZDJUGIOBC-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
1,4,5,6-Tetrahydro-6-oxopyridazine-3-carboxylic Acid 98.0+%, TCI America™
CAS: 27372-38-9 Molecular Formula: C5H6N2O3 Molecular Weight (g/mol): 142.114 MDL Number: MFCD00052030 InChI Key: VUADWGRLHPTYPI-UHFFFAOYSA-N Synonym: 6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid,1,4,5,6-tetrahydro-6-oxopyridazine-3-carboxylic acid,unii-ot09ztp07e,ot09ztp07e,6-oxo-1,4,5,6-tetrahydro-pyridazine-3-carboxylic acid,3-pyridazinecarboxylic acid, 1,4,5,6-tetrahydro-6-oxo,1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid,6-oxo-1,4,5,6-tetrahydropyridazin-3-carboxylic acid,6-oxo-1,4,5-trihydropyridazine-3-carboxylic acid,pubchem19274 PubChem CID: 99621 IUPAC Name: 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid SMILES: C1CC(=O)NN=C1C(=O)O
| PubChem CID | 99621 |
|---|---|
| CAS | 27372-38-9 |
| Molecular Weight (g/mol) | 142.114 |
| MDL Number | MFCD00052030 |
| SMILES | C1CC(=O)NN=C1C(=O)O |
| Synonym | 6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid,1,4,5,6-tetrahydro-6-oxopyridazine-3-carboxylic acid,unii-ot09ztp07e,ot09ztp07e,6-oxo-1,4,5,6-tetrahydro-pyridazine-3-carboxylic acid,3-pyridazinecarboxylic acid, 1,4,5,6-tetrahydro-6-oxo,1,4,5,6-tetrahydro-6-oxo-3-pyridazinecarboxylic acid,6-oxo-1,4,5,6-tetrahydropyridazin-3-carboxylic acid,6-oxo-1,4,5-trihydropyridazine-3-carboxylic acid,pubchem19274 |
| IUPAC Name | 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid |
| InChI Key | VUADWGRLHPTYPI-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O3 |
2-Methylbenzothiazole 98.0+%, TCI America™
CAS: 120-75-2 Molecular Formula: C8H7NS Molecular Weight (g/mol): 149.211 MDL Number: MFCD00005794 InChI Key: DXYYSGDWQCSKKO-UHFFFAOYSA-N Synonym: 2-methylbenzothiazole,benzothiazole, 2-methyl,2-methybenzothiazole,2-methyl-benzothiazole,benzothiazole, methyl,usaf ek-1853,unii-7lx1xe6h8w,2-methylbenzo d thiazole,2-methyl benzothiazole,7lx1xe6h8w PubChem CID: 8446 IUPAC Name: 2-methyl-1,3-benzothiazole SMILES: CC1=NC2=CC=CC=C2S1
| PubChem CID | 8446 |
|---|---|
| CAS | 120-75-2 |
| Molecular Weight (g/mol) | 149.211 |
| MDL Number | MFCD00005794 |
| SMILES | CC1=NC2=CC=CC=C2S1 |
| Synonym | 2-methylbenzothiazole,benzothiazole, 2-methyl,2-methybenzothiazole,2-methyl-benzothiazole,benzothiazole, methyl,usaf ek-1853,unii-7lx1xe6h8w,2-methylbenzo d thiazole,2-methyl benzothiazole,7lx1xe6h8w |
| IUPAC Name | 2-methyl-1,3-benzothiazole |
| InChI Key | DXYYSGDWQCSKKO-UHFFFAOYSA-N |
| Molecular Formula | C8H7NS |
2,2':6',2″-Terpyridine-4'-carboxylic Acid 98.0+%, TCI America™
CAS: 148332-36-9 Molecular Formula: C16H11N3O2 Molecular Weight (g/mol): 277.28 MDL Number: MFCD04114290 InChI Key: ZYTWXMBGOUJDHJ-UHFFFAOYSA-N Synonym: 2,2':6',2-terpyridine-4'-carboxylic acid,2,2':6',2-terpyridine-4'-carboxylicacid,2,6-bis pyridin-2-yl pyridine-4-carboxylic acid,6-pyridin-2-yl-2,2'-bipyridine-4-carboxylic acid,acmc-1c3v7,4'-carboxy-2,2':6',2-terpyridine,2,2:6,2'-terpyridine-4-carboxylic acid,1∼2∼,2∼2∼:2∼6∼,3∼2∼-terpyridine-2∼4∼-carboxylic acid,2,2\\':6\\',2\\'\\'-terpyridine-4\\'-carboxylic acid PubChem CID: 2762749 IUPAC Name: 6-(pyridin-2-yl)-[2,2'-bipyridine]-4-carboxylic acid SMILES: OC(=O)C1=CC(=NC(=C1)C1=CC=CC=N1)C1=CC=CC=N1
| PubChem CID | 2762749 |
|---|---|
| CAS | 148332-36-9 |
| Molecular Weight (g/mol) | 277.28 |
| MDL Number | MFCD04114290 |
| SMILES | OC(=O)C1=CC(=NC(=C1)C1=CC=CC=N1)C1=CC=CC=N1 |
| Synonym | 2,2':6',2-terpyridine-4'-carboxylic acid,2,2':6',2-terpyridine-4'-carboxylicacid,2,6-bis pyridin-2-yl pyridine-4-carboxylic acid,6-pyridin-2-yl-2,2'-bipyridine-4-carboxylic acid,acmc-1c3v7,4'-carboxy-2,2':6',2-terpyridine,2,2:6,2'-terpyridine-4-carboxylic acid,1∼2∼,2∼2∼:2∼6∼,3∼2∼-terpyridine-2∼4∼-carboxylic acid,2,2\\':6\\',2\\'\\'-terpyridine-4\\'-carboxylic acid |
| IUPAC Name | 6-(pyridin-2-yl)-[2,2'-bipyridine]-4-carboxylic acid |
| InChI Key | ZYTWXMBGOUJDHJ-UHFFFAOYSA-N |
| Molecular Formula | C16H11N3O2 |
Torsemide 98.0+%, TCI America™
CAS: 56211-40-6 Molecular Formula: C16H20N4O3S Molecular Weight (g/mol): 348.421 MDL Number: MFCD00866166 InChI Key: NGBFQHCMQULJNZ-UHFFFAOYSA-N Synonym: N-(Isopropylcarbamoyl)-4-(m-tolylamino)pyridine-3-sulfonamide, Torasemide PubChem CID: 41781 ChEBI: CHEBI:9637 IUPAC Name: 1-[4-(3-methylanilino)pyridin-3-yl]sulfonyl-3-propan-2-ylurea SMILES: CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C
| PubChem CID | 41781 |
|---|---|
| CAS | 56211-40-6 |
| Molecular Weight (g/mol) | 348.421 |
| ChEBI | CHEBI:9637 |
| MDL Number | MFCD00866166 |
| SMILES | CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C |
| Synonym | N-(Isopropylcarbamoyl)-4-(m-tolylamino)pyridine-3-sulfonamide, Torasemide |
| IUPAC Name | 1-[4-(3-methylanilino)pyridin-3-yl]sulfonyl-3-propan-2-ylurea |
| InChI Key | NGBFQHCMQULJNZ-UHFFFAOYSA-N |
| Molecular Formula | C16H20N4O3S |
trans-1-Methyl-4-carboxy-5-(3-pyridyl)-2-pyrrolidinone 95.0+%, TCI America™
CAS: 33224-01-0 Molecular Formula: C11H12N2O3 Molecular Weight (g/mol): 220.228 MDL Number: MFCD00075394 InChI Key: DEYLVDCFTICBTB-WCBMZHEXSA-N PubChem CID: 671220 IUPAC Name: (2S,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid SMILES: CN1C(C(CC1=O)C(=O)O)C2=CN=CC=C2
| PubChem CID | 671220 |
|---|---|
| CAS | 33224-01-0 |
| Molecular Weight (g/mol) | 220.228 |
| MDL Number | MFCD00075394 |
| SMILES | CN1C(C(CC1=O)C(=O)O)C2=CN=CC=C2 |
| IUPAC Name | (2S,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid |
| InChI Key | DEYLVDCFTICBTB-WCBMZHEXSA-N |
| Molecular Formula | C11H12N2O3 |
4-Methylindole 98.0+%, TCI America™
CAS: 16096-32-5 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.178 MDL Number: MFCD00005668 InChI Key: PZOUSPYUWWUPPK-UHFFFAOYSA-N Synonym: 4-methylindole,4-methyindole,1h-indole, 4-methyl,indole, 4-methyl,4-methyl indole,4-methyl-indole,pubchem7233,acmc-1bpu3,ksc179o0l PubChem CID: 85282 IUPAC Name: 4-methyl-1H-indole SMILES: CC1=C2C=CNC2=CC=C1
| PubChem CID | 85282 |
|---|---|
| CAS | 16096-32-5 |
| Molecular Weight (g/mol) | 131.178 |
| MDL Number | MFCD00005668 |
| SMILES | CC1=C2C=CNC2=CC=C1 |
| Synonym | 4-methylindole,4-methyindole,1h-indole, 4-methyl,indole, 4-methyl,4-methyl indole,4-methyl-indole,pubchem7233,acmc-1bpu3,ksc179o0l |
| IUPAC Name | 4-methyl-1H-indole |
| InChI Key | PZOUSPYUWWUPPK-UHFFFAOYSA-N |
| Molecular Formula | C9H9N |
(S,S)-(-)-2,2'-Isopropylidenebis(4-tert-butyl-2-oxazoline) 97.0+%, TCI America™
CAS: 131833-93-7 Molecular Formula: C17H30N2O2 Molecular Weight (g/mol): 294.44 MDL Number: MFCD00192243 InChI Key: DPMGLJUMNRDNMX-UHFFFAOYNA-N Synonym: 4s,4's-2,2'-propane-2,2-diyl bis 4-tert-butyl-4,5-dihydrooxazole,s,s---2,2'-isopropylidenebis 4-tert-butyl-2-oxazoline,t-bu-box, s,s,2,2'-isopropylidenebis 4s-4-tert-butyl-2-oxazoline,s,s---2,2-bis 4-tert-butyl-2-oxazolin-2-yl propane,s,s---2,2-dimethylmethylene bis 4-tert-butyl-2-oxazoline,4s-4-tert-butyl-2-2-4s-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl propan-2-yl-4,5-dihydro-1,3-oxazole,4-tert-butyl-2-1-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl-1-methylethyl-4,5-dihydro-1,3-oxazole,s,s-t-bu-box PubChem CID: 688208 IUPAC Name: 4-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole SMILES: CC(C)(C)C1COC(=N1)C(C)(C)C1=NC(CO1)C(C)(C)C
| PubChem CID | 688208 |
|---|---|
| CAS | 131833-93-7 |
| Molecular Weight (g/mol) | 294.44 |
| MDL Number | MFCD00192243 |
| SMILES | CC(C)(C)C1COC(=N1)C(C)(C)C1=NC(CO1)C(C)(C)C |
| Synonym | 4s,4's-2,2'-propane-2,2-diyl bis 4-tert-butyl-4,5-dihydrooxazole,s,s---2,2'-isopropylidenebis 4-tert-butyl-2-oxazoline,t-bu-box, s,s,2,2'-isopropylidenebis 4s-4-tert-butyl-2-oxazoline,s,s---2,2-bis 4-tert-butyl-2-oxazolin-2-yl propane,s,s---2,2-dimethylmethylene bis 4-tert-butyl-2-oxazoline,4s-4-tert-butyl-2-2-4s-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl propan-2-yl-4,5-dihydro-1,3-oxazole,4-tert-butyl-2-1-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl-1-methylethyl-4,5-dihydro-1,3-oxazole,s,s-t-bu-box |
| IUPAC Name | 4-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole |
| InChI Key | DPMGLJUMNRDNMX-UHFFFAOYNA-N |
| Molecular Formula | C17H30N2O2 |
Bis(2-carboxyethyl) Isocyanurate 98.0+%, TCI America™
CAS: 2904-40-7 Molecular Formula: C9H11N3O7 Molecular Weight (g/mol): 273.201 MDL Number: MFCD04038422 InChI Key: JCUMQTAAEUDUPK-UHFFFAOYSA-N Synonym: Isocyanuric Acid Bis(2-carboxyethyl) Ester PubChem CID: 223763 IUPAC Name: 3-[3-(2-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid SMILES: C(CN1C(=O)NC(=O)N(C1=O)CCC(=O)O)C(=O)O
| PubChem CID | 223763 |
|---|---|
| CAS | 2904-40-7 |
| Molecular Weight (g/mol) | 273.201 |
| MDL Number | MFCD04038422 |
| SMILES | C(CN1C(=O)NC(=O)N(C1=O)CCC(=O)O)C(=O)O |
| Synonym | Isocyanuric Acid Bis(2-carboxyethyl) Ester |
| IUPAC Name | 3-[3-(2-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid |
| InChI Key | JCUMQTAAEUDUPK-UHFFFAOYSA-N |
| Molecular Formula | C9H11N3O7 |
2-Mercapto-5-(trifluoromethyl)pyridine 98.0+%, TCI America™
CAS: 76041-72-0 Molecular Formula: C6H4F3NS Molecular Weight (g/mol): 179.16 MDL Number: MFCD00128893 InChI Key: YFSCXLSUZZXNHW-UHFFFAOYSA-N Synonym: 2-mercapto-5-trifluoromethyl pyridine,5-trifluoromethyl pyridine-2 1h-thione,5-trifluoromethyl pyridine-2-thiol,2-mercapto-5-trifluoromethylpyridine,2 1h-pyridinethione, 5-trifluoromethyl,5-trifluoromethyl-2-pyridinethiol,5-trifluoromethyl-2 1h-pyridinethione,5-trifluoromethyl-1h-pyridine-2-thione,5-trifluoromethyl pyridin-2-thiol,5-trifluoromethyl-2-mercaptopyridine PubChem CID: 2775246 IUPAC Name: 5-(trifluoromethyl)-1H-pyridine-2-thione SMILES: C1=CC(=S)NC=C1C(F)(F)F
| PubChem CID | 2775246 |
|---|---|
| CAS | 76041-72-0 |
| Molecular Weight (g/mol) | 179.16 |
| MDL Number | MFCD00128893 |
| SMILES | C1=CC(=S)NC=C1C(F)(F)F |
| Synonym | 2-mercapto-5-trifluoromethyl pyridine,5-trifluoromethyl pyridine-2 1h-thione,5-trifluoromethyl pyridine-2-thiol,2-mercapto-5-trifluoromethylpyridine,2 1h-pyridinethione, 5-trifluoromethyl,5-trifluoromethyl-2-pyridinethiol,5-trifluoromethyl-2 1h-pyridinethione,5-trifluoromethyl-1h-pyridine-2-thione,5-trifluoromethyl pyridin-2-thiol,5-trifluoromethyl-2-mercaptopyridine |
| IUPAC Name | 5-(trifluoromethyl)-1H-pyridine-2-thione |
| InChI Key | YFSCXLSUZZXNHW-UHFFFAOYSA-N |
| Molecular Formula | C6H4F3NS |
2,3-Lutidine 98.0+%, TCI America™
CAS: 583-61-9 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.156 MDL Number: MFCD00009605 InChI Key: HPYNZHMRTTWQTB-UHFFFAOYSA-N Synonym: 2,3-lutidine,pyridine, 2,3-dimethyl,pyridine, dimethyl,dimethylpyridine,unii-5q0f649h6g,2,3-dimethyl-pyridine,2-3-lutidine,pyridine,3-dimethyl,2,3-d1methylpyridine,pubchem20520 PubChem CID: 11420 IUPAC Name: 2,3-dimethylpyridine SMILES: CC1=C(N=CC=C1)C
| PubChem CID | 11420 |
|---|---|
| CAS | 583-61-9 |
| Molecular Weight (g/mol) | 107.156 |
| MDL Number | MFCD00009605 |
| SMILES | CC1=C(N=CC=C1)C |
| Synonym | 2,3-lutidine,pyridine, 2,3-dimethyl,pyridine, dimethyl,dimethylpyridine,unii-5q0f649h6g,2,3-dimethyl-pyridine,2-3-lutidine,pyridine,3-dimethyl,2,3-d1methylpyridine,pubchem20520 |
| IUPAC Name | 2,3-dimethylpyridine |
| InChI Key | HPYNZHMRTTWQTB-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
1,1'-Diphenyl-4,4'-bipyridinium Dichloride 97.0+%, TCI America™
CAS: 47369-00-6 Molecular Formula: C22H18Cl2N2 Molecular Weight (g/mol): 381.30 MDL Number: MFCD00142355 InChI Key: SZZVUWLOZBMPLX-UHFFFAOYSA-L PubChem CID: 10861840 IUPAC Name: 1,1'-diphenyl-1λ⁵,1'λ⁵-[4,4'-bipyridine]-1,1'-bis(ylium) dichloride SMILES: [Cl-].[Cl-].C1=CC=C(C=C1)[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)C1=CC=CC=C1
| PubChem CID | 10861840 |
|---|---|
| CAS | 47369-00-6 |
| Molecular Weight (g/mol) | 381.30 |
| MDL Number | MFCD00142355 |
| SMILES | [Cl-].[Cl-].C1=CC=C(C=C1)[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)C1=CC=CC=C1 |
| IUPAC Name | 1,1'-diphenyl-1λ⁵,1'λ⁵-[4,4'-bipyridine]-1,1'-bis(ylium) dichloride |
| InChI Key | SZZVUWLOZBMPLX-UHFFFAOYSA-L |
| Molecular Formula | C22H18Cl2N2 |