Organoheterocyclic compounds
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2,2,3,3,4,4-Hexafluoropentanedioic Anhydride 97.0+%, TCI America™
CAS: 376-68-1 Molecular Formula: C5F6O3 Molecular Weight (g/mol): 222.042 MDL Number: MFCD00006680 InChI Key: IHYAGCYJVNHXCT-UHFFFAOYSA-N Synonym: hexafluoroglutaric anhydride,perfluoroglutaric anhydride,3,3,4,4,5,5-hexafluorodihydro-2h-pyran-2,6 3h-dione,hexafluoroglutaric acid anhydride,2,2,3,3,4,4-hexafluoropentanedioic anhydride,3,3,4,4,5,5-hexafluoro-3h-4,5-dihydropyran-2,6-dione,hexafluoroglutaricanhydride,acmc-1clz4,hexafluorooxane-2,6-dione PubChem CID: 78995 IUPAC Name: 3,3,4,4,5,5-hexafluorooxane-2,6-dione SMILES: C1(=O)C(C(C(C(=O)O1)(F)F)(F)F)(F)F
| PubChem CID | 78995 |
|---|---|
| CAS | 376-68-1 |
| Molecular Weight (g/mol) | 222.042 |
| MDL Number | MFCD00006680 |
| SMILES | C1(=O)C(C(C(C(=O)O1)(F)F)(F)F)(F)F |
| Synonym | hexafluoroglutaric anhydride,perfluoroglutaric anhydride,3,3,4,4,5,5-hexafluorodihydro-2h-pyran-2,6 3h-dione,hexafluoroglutaric acid anhydride,2,2,3,3,4,4-hexafluoropentanedioic anhydride,3,3,4,4,5,5-hexafluoro-3h-4,5-dihydropyran-2,6-dione,hexafluoroglutaricanhydride,acmc-1clz4,hexafluorooxane-2,6-dione |
| IUPAC Name | 3,3,4,4,5,5-hexafluorooxane-2,6-dione |
| InChI Key | IHYAGCYJVNHXCT-UHFFFAOYSA-N |
| Molecular Formula | C5F6O3 |
2-Piperidone 98.0+%, TCI America™
CAS: 675-20-7 Molecular Formula: C5H9NO Molecular Weight (g/mol): 99.13 MDL Number: MFCD00006037 InChI Key: XUWHAWMETYGRKB-UHFFFAOYSA-N Synonym: 2-piperidone,2-piperidinone,delta-valerolactam,valerolactim,5-pentanolactam,piperidinone,piperidon,piperidone,alpha-piperidone,piperidone-2 PubChem CID: 12665 ChEBI: CHEBI:77761 IUPAC Name: piperidin-2-one SMILES: O=C1CCCCN1
| PubChem CID | 12665 |
|---|---|
| CAS | 675-20-7 |
| Molecular Weight (g/mol) | 99.13 |
| ChEBI | CHEBI:77761 |
| MDL Number | MFCD00006037 |
| SMILES | O=C1CCCCN1 |
| Synonym | 2-piperidone,2-piperidinone,delta-valerolactam,valerolactim,5-pentanolactam,piperidinone,piperidon,piperidone,alpha-piperidone,piperidone-2 |
| IUPAC Name | piperidin-2-one |
| InChI Key | XUWHAWMETYGRKB-UHFFFAOYSA-N |
| Molecular Formula | C5H9NO |
5-Mercapto-1-phenyl-1H-tetrazole 98.0+%, TCI America™
CAS: 86-93-1 Molecular Formula: C7H6N4S Molecular Weight (g/mol): 178.21 MDL Number: MFCD00003129 InChI Key: GGZHVNZHFYCSEV-UHFFFAOYSA-N Synonym: 1-phenyl-1h-tetrazole-5-thiol,1-phenyltetrazole-5-thiol,1-phenyl-5-mercaptotetrazole,5-mercapto-1-phenyltetrazole,1-phenyltetrazoline-5-thione,mercaptophenyltetrazole,phenylmercaptotetrazole,1-phenyl-5-tetrazolethione,5-mercapto-1-phenyltetrazol,1-phenyltetrazole-thiol PubChem CID: 690730 ChEBI: CHEBI:79916 IUPAC Name: 1-phenyl-2,5-dihydro-1H-1,2,3,4-tetrazole-5-thione SMILES: S=C1N=NNN1C1=CC=CC=C1
| PubChem CID | 690730 |
|---|---|
| CAS | 86-93-1 |
| Molecular Weight (g/mol) | 178.21 |
| ChEBI | CHEBI:79916 |
| MDL Number | MFCD00003129 |
| SMILES | S=C1N=NNN1C1=CC=CC=C1 |
| Synonym | 1-phenyl-1h-tetrazole-5-thiol,1-phenyltetrazole-5-thiol,1-phenyl-5-mercaptotetrazole,5-mercapto-1-phenyltetrazole,1-phenyltetrazoline-5-thione,mercaptophenyltetrazole,phenylmercaptotetrazole,1-phenyl-5-tetrazolethione,5-mercapto-1-phenyltetrazol,1-phenyltetrazole-thiol |
| IUPAC Name | 1-phenyl-2,5-dihydro-1H-1,2,3,4-tetrazole-5-thione |
| InChI Key | GGZHVNZHFYCSEV-UHFFFAOYSA-N |
| Molecular Formula | C7H6N4S |
Piperonyl Butoxide 90.0+%, TCI America™
CAS: 51-03-6 Molecular Formula: C19H30O5 Molecular Weight (g/mol): 338.44 MDL Number: MFCD00005842 InChI Key: FIPWRIJSWJWJAI-UHFFFAOYSA-N Synonym: piperonyl butoxide,butacide,butocide,ethanol butoxide,pyrenone 606,piperonylbutoxide,6-propylpiperonyl butyl diethylene glycol ether,butyl carbitol 6-propylpiperonyl ether,5-2-2-butoxyethoxy ethoxy methyl-6-propylbenzo d 1,3 dioxole,butoxide synergist PubChem CID: 5794 ChEBI: CHEBI:32687 IUPAC Name: 5-{[2-(2-butoxyethoxy)ethoxy]methyl}-6-propyl-2H-1,3-benzodioxole SMILES: CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC
| PubChem CID | 5794 |
|---|---|
| CAS | 51-03-6 |
| Molecular Weight (g/mol) | 338.44 |
| ChEBI | CHEBI:32687 |
| MDL Number | MFCD00005842 |
| SMILES | CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC |
| Synonym | piperonyl butoxide,butacide,butocide,ethanol butoxide,pyrenone 606,piperonylbutoxide,6-propylpiperonyl butyl diethylene glycol ether,butyl carbitol 6-propylpiperonyl ether,5-2-2-butoxyethoxy ethoxy methyl-6-propylbenzo d 1,3 dioxole,butoxide synergist |
| IUPAC Name | 5-{[2-(2-butoxyethoxy)ethoxy]methyl}-6-propyl-2H-1,3-benzodioxole |
| InChI Key | FIPWRIJSWJWJAI-UHFFFAOYSA-N |
| Molecular Formula | C19H30O5 |
N-Phthaloyl-L-glutamic Anhydride 98.0+%, TCI America™
CAS: 25830-77-7 Molecular Formula: C13H9NO5 Molecular Weight (g/mol): 259.217 MDL Number: MFCD00067324 InChI Key: ICDLEMPZXFCQEB-VIFPVBQESA-N PubChem CID: 11807393 IUPAC Name: 2-[(3S)-2,6-dioxooxan-3-yl]isoindole-1,3-dione SMILES: C1CC(=O)OC(=O)C1N2C(=O)C3=CC=CC=C3C2=O
| PubChem CID | 11807393 |
|---|---|
| CAS | 25830-77-7 |
| Molecular Weight (g/mol) | 259.217 |
| MDL Number | MFCD00067324 |
| SMILES | C1CC(=O)OC(=O)C1N2C(=O)C3=CC=CC=C3C2=O |
| IUPAC Name | 2-[(3S)-2,6-dioxooxan-3-yl]isoindole-1,3-dione |
| InChI Key | ICDLEMPZXFCQEB-VIFPVBQESA-N |
| Molecular Formula | C13H9NO5 |
Phenylthiohydantoin-(Nepsilon-phenylthiocarbamyl)-lysine 98.0+%, TCI America™
CAS: 29635-94-7 Molecular Formula: C20H22N4OS2 Molecular Weight (g/mol): 398.543 MDL Number: MFCD00151476 InChI Key: BUPYRERCBPFRFM-KRWDZBQOSA-N Synonym: PTH-(Nepsilon-PTC)-lysine PubChem CID: 1550115 IUPAC Name: 1-[4-[(4S)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]butyl]-3-phenylthiourea SMILES: C1=CC=C(C=C1)NC(=S)NCCCCC2C(=O)N(C(=S)N2)C3=CC=CC=C3
| PubChem CID | 1550115 |
|---|---|
| CAS | 29635-94-7 |
| Molecular Weight (g/mol) | 398.543 |
| MDL Number | MFCD00151476 |
| SMILES | C1=CC=C(C=C1)NC(=S)NCCCCC2C(=O)N(C(=S)N2)C3=CC=CC=C3 |
| Synonym | PTH-(Nepsilon-PTC)-lysine |
| IUPAC Name | 1-[4-[(4S)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]butyl]-3-phenylthiourea |
| InChI Key | BUPYRERCBPFRFM-KRWDZBQOSA-N |
| Molecular Formula | C20H22N4OS2 |
Pyridine-2-carboxylic Acid Hydrochloride 98.0+%, TCI America™
CAS: 636-80-6 Molecular Formula: C6H6ClNO2 Molecular Weight (g/mol): 159.57 MDL Number: MFCD00050666 InChI Key: HFAFXVOPGDBAOK-UHFFFAOYSA-N Synonym: Picolinic Acid Hydrochloride PubChem CID: 71559 IUPAC Name: hydrogen pyridine-2-carboxylic acid chloride SMILES: [H+].[Cl-].OC(=O)C1=CC=CC=N1
| PubChem CID | 71559 |
|---|---|
| CAS | 636-80-6 |
| Molecular Weight (g/mol) | 159.57 |
| MDL Number | MFCD00050666 |
| SMILES | [H+].[Cl-].OC(=O)C1=CC=CC=N1 |
| Synonym | Picolinic Acid Hydrochloride |
| IUPAC Name | hydrogen pyridine-2-carboxylic acid chloride |
| InChI Key | HFAFXVOPGDBAOK-UHFFFAOYSA-N |
| Molecular Formula | C6H6ClNO2 |
2-Picolinamide 98.0+%, TCI America™
CAS: 1452-77-3 Molecular Formula: C6H6N2O Molecular Weight (g/mol): 122.13 MDL Number: MFCD00023483 InChI Key: IBBMAWULFFBRKK-UHFFFAOYSA-N Synonym: picolinamide,2-pyridinecarboxamide,picolinoylamide,2-carbamoylpyridine,picolinic acid amide,2-picolinamide,2-aminocarbonyl-pyridine,alpha-picolinamide,pyridinecarboxamide,unii-i3550ccl59 PubChem CID: 15070 ChEBI: CHEBI:8200 IUPAC Name: pyridine-2-carboxamide SMILES: NC(=O)C1=CC=CC=N1
| PubChem CID | 15070 |
|---|---|
| CAS | 1452-77-3 |
| Molecular Weight (g/mol) | 122.13 |
| ChEBI | CHEBI:8200 |
| MDL Number | MFCD00023483 |
| SMILES | NC(=O)C1=CC=CC=N1 |
| Synonym | picolinamide,2-pyridinecarboxamide,picolinoylamide,2-carbamoylpyridine,picolinic acid amide,2-picolinamide,2-aminocarbonyl-pyridine,alpha-picolinamide,pyridinecarboxamide,unii-i3550ccl59 |
| IUPAC Name | pyridine-2-carboxamide |
| InChI Key | IBBMAWULFFBRKK-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O |
Phthalazine 98.0+%, TCI America™
CAS: 253-52-1 Molecular Formula: C8H6N2 Molecular Weight (g/mol): 130.15 MDL Number: MFCD00006908 InChI Key: LFSXCDWNBUNEEM-UHFFFAOYSA-N Synonym: 2,3-benzodiazine,benzo d pyridazine,2,3-diazanaphthalene,beta-phenodiazine,.beta.-phenodiazine,unii-91y28dm24n,ccris 6894,phthalazin,benzo-orthodiazine PubChem CID: 9207 ChEBI: CHEBI:36597 IUPAC Name: phthalazine SMILES: C1=CC=C2C=NN=CC2=C1
| PubChem CID | 9207 |
|---|---|
| CAS | 253-52-1 |
| Molecular Weight (g/mol) | 130.15 |
| ChEBI | CHEBI:36597 |
| MDL Number | MFCD00006908 |
| SMILES | C1=CC=C2C=NN=CC2=C1 |
| Synonym | 2,3-benzodiazine,benzo d pyridazine,2,3-diazanaphthalene,beta-phenodiazine,.beta.-phenodiazine,unii-91y28dm24n,ccris 6894,phthalazin,benzo-orthodiazine |
| IUPAC Name | phthalazine |
| InChI Key | LFSXCDWNBUNEEM-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2 |
3-(Chloromethyl)-3-methyloxetane 98.0+%, TCI America™
CAS: 822-48-0 Molecular Formula: C5H9ClO Molecular Weight (g/mol): 120.58 MDL Number: MFCD01709552 InChI Key: MCZYEFODKAZWIH-UHFFFAOYSA-N Synonym: 2-(Chloromethyl)-2-methyl-1,3-epoxypropane PubChem CID: 79112 IUPAC Name: 3-(chloromethyl)-3-methyloxetane SMILES: CC1(CCl)COC1
| PubChem CID | 79112 |
|---|---|
| CAS | 822-48-0 |
| Molecular Weight (g/mol) | 120.58 |
| MDL Number | MFCD01709552 |
| SMILES | CC1(CCl)COC1 |
| Synonym | 2-(Chloromethyl)-2-methyl-1,3-epoxypropane |
| IUPAC Name | 3-(chloromethyl)-3-methyloxetane |
| InChI Key | MCZYEFODKAZWIH-UHFFFAOYSA-N |
| Molecular Formula | C5H9ClO |
5-Azoniaspiro[4.4]nonane Bromide 98.0+%, TCI America™
CAS: 16450-38-7 Molecular Formula: C8H16BrN Molecular Weight (g/mol): 206.127 InChI Key: PQTWYBSYKLXZME-UHFFFAOYSA-M PubChem CID: 11458396 IUPAC Name: 5-azoniaspiro[4.4]nonane;bromide SMILES: C1CC[N+]2(C1)CCCC2.[Br-]
| PubChem CID | 11458396 |
|---|---|
| CAS | 16450-38-7 |
| Molecular Weight (g/mol) | 206.127 |
| SMILES | C1CC[N+]2(C1)CCCC2.[Br-] |
| IUPAC Name | 5-azoniaspiro[4.4]nonane;bromide |
| InChI Key | PQTWYBSYKLXZME-UHFFFAOYSA-M |
| Molecular Formula | C8H16BrN |
TMPyP 98.0+%, TCI America™
CAS: 36951-72-1 Molecular Formula: C72H66N8O12S4 Molecular Weight (g/mol): 1363.604 MDL Number: MFCD00013468 InChI Key: AKZFRMNXBLFDNN-UHFFFAOYSA-K Synonym: tmpyp,tmpyp4 tosylate,tmpyp tetratosylate,tmpyp4 tetratosylate,tppt 4,meso-tetra 4-n-methyl-pyridyl porphyrin,meso-tetrakis n-methyl-4-pyridyl porphine tetratosylate salt,meso-tetrakis n-methylpyridinium-4-yl porphine tetratosylate,meso-tetrakis n-methyl-4-pyridyl porphine tetrakis p-toluenesulfonate,5,10,15,20-tetrakis 1-methylpyridinium-4-yl porphyrin tetra p-toluenesulfonate PubChem CID: 11979833 IUPAC Name: 4-methylbenzenesulfonate;5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C9=CC=[N+](C=C9)C)N3
| PubChem CID | 11979833 |
|---|---|
| CAS | 36951-72-1 |
| Molecular Weight (g/mol) | 1363.604 |
| MDL Number | MFCD00013468 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C9=CC=[N+](C=C9)C)N3 |
| Synonym | tmpyp,tmpyp4 tosylate,tmpyp tetratosylate,tmpyp4 tetratosylate,tppt 4,meso-tetra 4-n-methyl-pyridyl porphyrin,meso-tetrakis n-methyl-4-pyridyl porphine tetratosylate salt,meso-tetrakis n-methylpyridinium-4-yl porphine tetratosylate,meso-tetrakis n-methyl-4-pyridyl porphine tetrakis p-toluenesulfonate,5,10,15,20-tetrakis 1-methylpyridinium-4-yl porphyrin tetra p-toluenesulfonate |
| IUPAC Name | 4-methylbenzenesulfonate;5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin |
| InChI Key | AKZFRMNXBLFDNN-UHFFFAOYSA-K |
| Molecular Formula | C72H66N8O12S4 |
5-Amino-2,2-difluoro-1,3-benzodioxole 98.0+%, TCI America™
CAS: 1544-85-0 Molecular Formula: C7H5F2NO2 Molecular Weight (g/mol): 173.119 MDL Number: MFCD00190144 InChI Key: CVYQRDKVWVBOFP-UHFFFAOYSA-N Synonym: 2,2-difluoro-5-aminobenzodioxole,2,2-difluorobenzo d 1,3 dioxol-5-amine,2,2-difluoro-5-amino-1,3-benzodioxole,5-amino-2,2-difluorobenzodioxole,5-amino-2,2-difluoro-1,3-benzodioxole,2,2-difluoro-2h-1,3-benzodioxol-5-amine,1,3-benzodioxol-5-amine, 2,2-difluoro,3,4-difluoromethylenedioxy aniline,3,4-difluoromethylene dioxy aniline,2,2-difluoro-benzo 1,3 dioxol-5-ylamine PubChem CID: 2736893 IUPAC Name: 2,2-difluoro-1,3-benzodioxol-5-amine SMILES: C1=CC2=C(C=C1N)OC(O2)(F)F
| PubChem CID | 2736893 |
|---|---|
| CAS | 1544-85-0 |
| Molecular Weight (g/mol) | 173.119 |
| MDL Number | MFCD00190144 |
| SMILES | C1=CC2=C(C=C1N)OC(O2)(F)F |
| Synonym | 2,2-difluoro-5-aminobenzodioxole,2,2-difluorobenzo d 1,3 dioxol-5-amine,2,2-difluoro-5-amino-1,3-benzodioxole,5-amino-2,2-difluorobenzodioxole,5-amino-2,2-difluoro-1,3-benzodioxole,2,2-difluoro-2h-1,3-benzodioxol-5-amine,1,3-benzodioxol-5-amine, 2,2-difluoro,3,4-difluoromethylenedioxy aniline,3,4-difluoromethylene dioxy aniline,2,2-difluoro-benzo 1,3 dioxol-5-ylamine |
| IUPAC Name | 2,2-difluoro-1,3-benzodioxol-5-amine |
| InChI Key | CVYQRDKVWVBOFP-UHFFFAOYSA-N |
| Molecular Formula | C7H5F2NO2 |
Atorvastatin Lactone 95.0+%, TCI America™
CAS: 125995-03-1 Molecular Formula: C33H33FN2O4 Molecular Weight (g/mol): 540.635 MDL Number: MFCD00899262 InChI Key: OUCSEDFVYPBLLF-KAYWLYCHSA-N Synonym: 5-(4-Fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl]-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide, Atorvastatin Related Compound H PubChem CID: 6483036 IUPAC Name: 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide SMILES: CC(C)C1=C(C(=C(N1CCC2CC(CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5
| PubChem CID | 6483036 |
|---|---|
| CAS | 125995-03-1 |
| Molecular Weight (g/mol) | 540.635 |
| MDL Number | MFCD00899262 |
| SMILES | CC(C)C1=C(C(=C(N1CCC2CC(CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5 |
| Synonym | 5-(4-Fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl]-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide, Atorvastatin Related Compound H |
| IUPAC Name | 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide |
| InChI Key | OUCSEDFVYPBLLF-KAYWLYCHSA-N |
| Molecular Formula | C33H33FN2O4 |
4-Hexylthiophene-2-carbonitrile 95.0+%, TCI America™
CAS: 1224430-39-0 Molecular Formula: C11H15NS Molecular Weight (g/mol): 193.308 MDL Number: MFCD18413940 InChI Key: LFLOKABSZNAYLC-UHFFFAOYSA-N Synonym: 2-Cyano-4-hexylthiophene PubChem CID: 58420906 IUPAC Name: 4-hexylthiophene-2-carbonitrile SMILES: CCCCCCC1=CSC(=C1)C#N
| PubChem CID | 58420906 |
|---|---|
| CAS | 1224430-39-0 |
| Molecular Weight (g/mol) | 193.308 |
| MDL Number | MFCD18413940 |
| SMILES | CCCCCCC1=CSC(=C1)C#N |
| Synonym | 2-Cyano-4-hexylthiophene |
| IUPAC Name | 4-hexylthiophene-2-carbonitrile |
| InChI Key | LFLOKABSZNAYLC-UHFFFAOYSA-N |
| Molecular Formula | C11H15NS |