Organoheterocyclic compounds
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4-Chloro-2,1,3-benzoxadiazole 98.0+%, TCI America™
CAS: 7116-16-7 Molecular Formula: C6H3ClN2O Molecular Weight (g/mol): 154.553 MDL Number: MFCD00191329 InChI Key: YLEBWUGKYMZPQQ-UHFFFAOYSA-N Synonym: 4-Chlorobenzofurazan PubChem CID: 592984 IUPAC Name: 4-chloro-2,1,3-benzoxadiazole SMILES: C1=CC2=NON=C2C(=C1)Cl
| PubChem CID | 592984 |
|---|---|
| CAS | 7116-16-7 |
| Molecular Weight (g/mol) | 154.553 |
| MDL Number | MFCD00191329 |
| SMILES | C1=CC2=NON=C2C(=C1)Cl |
| Synonym | 4-Chlorobenzofurazan |
| IUPAC Name | 4-chloro-2,1,3-benzoxadiazole |
| InChI Key | YLEBWUGKYMZPQQ-UHFFFAOYSA-N |
| Molecular Formula | C6H3ClN2O |
4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole 97.0+%, TCI America™
CAS: 142246-48-8 Molecular Formula: C6H2Cl2N2O3S Molecular Weight (g/mol): 253.053 MDL Number: MFCD00191405 InChI Key: BPPRLMZEVZSIIJ-UHFFFAOYSA-N Synonym: 4-Chloro-2,1,3-benzoxadiazole-7-sulfonyl Chloride, 4-Chloro-7-chlorosulfonylbenzofurazan PubChem CID: 612515 IUPAC Name: 4-chloro-2,1,3-benzoxadiazole-7-sulfonyl chloride SMILES: C1=C(C2=NON=C2C(=C1)Cl)S(=O)(=O)Cl
| PubChem CID | 612515 |
|---|---|
| CAS | 142246-48-8 |
| Molecular Weight (g/mol) | 253.053 |
| MDL Number | MFCD00191405 |
| SMILES | C1=C(C2=NON=C2C(=C1)Cl)S(=O)(=O)Cl |
| Synonym | 4-Chloro-2,1,3-benzoxadiazole-7-sulfonyl Chloride, 4-Chloro-7-chlorosulfonylbenzofurazan |
| IUPAC Name | 4-chloro-2,1,3-benzoxadiazole-7-sulfonyl chloride |
| InChI Key | BPPRLMZEVZSIIJ-UHFFFAOYSA-N |
| Molecular Formula | C6H2Cl2N2O3S |
(S)-(+)-NBD-Py-NCS 98.0+%, TCI America™
CAS: 163927-30-8 Molecular Formula: C11H9N5O3S Molecular Weight (g/mol): 291.285 MDL Number: MFCD02093435 InChI Key: CHKCHHTYBXOUKH-ZETCQYMHSA-N Synonym: (S)-(+)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitrobenzofurazan, (S)-(+)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitro-2,1,3-benzoxadiazole PubChem CID: 16218824 IUPAC Name: 7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-4-nitro-2,1,3-benzoxadiazole SMILES: C1CN(CC1N=C=S)C2=CC=C(C3=NON=C23)[N+](=O)[O-]
| PubChem CID | 16218824 |
|---|---|
| CAS | 163927-30-8 |
| Molecular Weight (g/mol) | 291.285 |
| MDL Number | MFCD02093435 |
| SMILES | C1CN(CC1N=C=S)C2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| Synonym | (S)-(+)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitrobenzofurazan, (S)-(+)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-nitro-2,1,3-benzoxadiazole |
| IUPAC Name | 7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-4-nitro-2,1,3-benzoxadiazole |
| InChI Key | CHKCHHTYBXOUKH-ZETCQYMHSA-N |
| Molecular Formula | C11H9N5O3S |
2,1,3-Benzoxadiazole 98.0+%, TCI America™
CAS: 273-09-6 Molecular Formula: C6H4N2O Molecular Weight (g/mol): 120.111 MDL Number: MFCD00068064 InChI Key: AWBOSXFRPFZLOP-UHFFFAOYSA-N Synonym: benzofurazan,benzo c 1,2,5 oxadiazole,benzofurazane,2,1,3-benzoxadiazol,benzo-2,1,3-oxadiazole,2-oxa-1,3-diaza-2h-isoindene,3,5-cyclohexadiene-1,2-dione, dioxime, furazan,pubchem22999,acmc-209gwb PubChem CID: 67501 IUPAC Name: 2,1,3-benzoxadiazole SMILES: C1=CC2=NON=C2C=C1
| PubChem CID | 67501 |
|---|---|
| CAS | 273-09-6 |
| Molecular Weight (g/mol) | 120.111 |
| MDL Number | MFCD00068064 |
| SMILES | C1=CC2=NON=C2C=C1 |
| Synonym | benzofurazan,benzo c 1,2,5 oxadiazole,benzofurazane,2,1,3-benzoxadiazol,benzo-2,1,3-oxadiazole,2-oxa-1,3-diaza-2h-isoindene,3,5-cyclohexadiene-1,2-dione, dioxime, furazan,pubchem22999,acmc-209gwb |
| IUPAC Name | 2,1,3-benzoxadiazole |
| InChI Key | AWBOSXFRPFZLOP-UHFFFAOYSA-N |
| Molecular Formula | C6H4N2O |
DBD-ED [=4-(N,N-Dimethylaminosulfonyl)-7-(2-aminoethylamino)-2,1,3-benzoxadiazole], TCI America™
CAS: 189373-41-9 Molecular Formula: C10H15N5O3S Molecular Weight (g/mol): 285.322 MDL Number: MFCD01321129 InChI Key: RDMBHRPODMXKHT-UHFFFAOYSA-N Synonym: 4-(N,N-Dimethylaminosulfonyl)-7-(2-aminoethylamino)-2,1,3-benzoxadiazole PubChem CID: 4125780 IUPAC Name: 7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)NCCN
| PubChem CID | 4125780 |
|---|---|
| CAS | 189373-41-9 |
| Molecular Weight (g/mol) | 285.322 |
| MDL Number | MFCD01321129 |
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)NCCN |
| Synonym | 4-(N,N-Dimethylaminosulfonyl)-7-(2-aminoethylamino)-2,1,3-benzoxadiazole |
| IUPAC Name | 7-(2-aminoethylamino)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide |
| InChI Key | RDMBHRPODMXKHT-UHFFFAOYSA-N |
| Molecular Formula | C10H15N5O3S |
ABD-F 98.0+%, TCI America™
CAS: 91366-65-3 Molecular Formula: C6H4FN3O3S Molecular Weight (g/mol): 217.17 MDL Number: MFCD00036687 InChI Key: XROXHZMRDABMHS-UHFFFAOYSA-N Synonym: abd-f,4-aminosulfonyl-7-fluoro-2,1,3-benzoxadiazole,7-fluorobenzofurazan-4-sulfonamide,4-fluoro-7-sulfamoylbenzofurazan,7-fluorobenzo c 1,2,5 oxadiazole-4-sulfonamide,4-aminosulphonyl-7-fluoro-2,1,3-benzoxadiazole,7-fluorobenzo c 1,2,5-oxadiazole-4-sulfonamide,pubchem23230,4-fluoro-7-sulfamoylbenzofurazane,4-fluoro-7-sulfoamoylbenzofurazan PubChem CID: 122067 IUPAC Name: 7-fluoro-2,1,3-benzoxadiazole-4-sulfonamide SMILES: NS(=O)(=O)C1=CC=C(F)C2=NON=C12
| PubChem CID | 122067 |
|---|---|
| CAS | 91366-65-3 |
| Molecular Weight (g/mol) | 217.17 |
| MDL Number | MFCD00036687 |
| SMILES | NS(=O)(=O)C1=CC=C(F)C2=NON=C12 |
| Synonym | abd-f,4-aminosulfonyl-7-fluoro-2,1,3-benzoxadiazole,7-fluorobenzofurazan-4-sulfonamide,4-fluoro-7-sulfamoylbenzofurazan,7-fluorobenzo c 1,2,5 oxadiazole-4-sulfonamide,4-aminosulphonyl-7-fluoro-2,1,3-benzoxadiazole,7-fluorobenzo c 1,2,5-oxadiazole-4-sulfonamide,pubchem23230,4-fluoro-7-sulfamoylbenzofurazane,4-fluoro-7-sulfoamoylbenzofurazan |
| IUPAC Name | 7-fluoro-2,1,3-benzoxadiazole-4-sulfonamide |
| InChI Key | XROXHZMRDABMHS-UHFFFAOYSA-N |
| Molecular Formula | C6H4FN3O3S |
Dabsyl-L-valine 98.0+%, TCI America™
CAS: 89131-11-3 Molecular Formula: C19H24N4O4S Molecular Weight (g/mol): 404.485 MDL Number: MFCD00059366 InChI Key: AJSKPBGSGLIRQK-SFHVURJKSA-N Synonym: 4-Dimethylaminoazobenzene-4′C-sulfonyl-L-valine, Dbs-Val-OH PubChem CID: 14048723 IUPAC Name: (2S)-2-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]-3-methylbutanoic acid SMILES: CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(C)C
| PubChem CID | 14048723 |
|---|---|
| CAS | 89131-11-3 |
| Molecular Weight (g/mol) | 404.485 |
| MDL Number | MFCD00059366 |
| SMILES | CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(C)C |
| Synonym | 4-Dimethylaminoazobenzene-4′C-sulfonyl-L-valine, Dbs-Val-OH |
| IUPAC Name | (2S)-2-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]-3-methylbutanoic acid |
| InChI Key | AJSKPBGSGLIRQK-SFHVURJKSA-N |
| Molecular Formula | C19H24N4O4S |
4'-Iodo-4-dimethylaminoazobenzene 97.0+%, TCI America™
CAS: 3805-67-2 Molecular Formula: C14H14IN3 Molecular Weight (g/mol): 351.19 MDL Number: MFCD00059492 InChI Key: JSCFDMNXBTVUTH-UHFFFAOYSA-N Synonym: 4-Dimethylamino-4′C-iodoazobenzene PubChem CID: 577894 IUPAC Name: 4-[2-(4-iodophenyl)diazen-1-yl]-N,N-dimethylaniline SMILES: CN(C)C1=CC=C(C=C1)N=NC1=CC=C(I)C=C1
| PubChem CID | 577894 |
|---|---|
| CAS | 3805-67-2 |
| Molecular Weight (g/mol) | 351.19 |
| MDL Number | MFCD00059492 |
| SMILES | CN(C)C1=CC=C(C=C1)N=NC1=CC=C(I)C=C1 |
| Synonym | 4-Dimethylamino-4′C-iodoazobenzene |
| IUPAC Name | 4-[2-(4-iodophenyl)diazen-1-yl]-N,N-dimethylaniline |
| InChI Key | JSCFDMNXBTVUTH-UHFFFAOYSA-N |
| Molecular Formula | C14H14IN3 |
4-(Dimethylamino)-2'-methylazobenzene, TCI America™
CAS: 3731-39-3 Molecular Formula: C15H17N3 Molecular Weight (g/mol): 239.32 MDL Number: MFCD00025648 InChI Key: PREOKNMPMCPQQJ-UHFFFAOYSA-N Synonym: 2′C-Methyl-4-(dimethylamino)azobenzene PubChem CID: 19508 IUPAC Name: N,N-dimethyl-4-[2-(2-methylphenyl)diazen-1-yl]aniline SMILES: CN(C)C1=CC=C(C=C1)N=NC1=CC=CC=C1C
| PubChem CID | 19508 |
|---|---|
| CAS | 3731-39-3 |
| Molecular Weight (g/mol) | 239.32 |
| MDL Number | MFCD00025648 |
| SMILES | CN(C)C1=CC=C(C=C1)N=NC1=CC=CC=C1C |
| Synonym | 2′C-Methyl-4-(dimethylamino)azobenzene |
| IUPAC Name | N,N-dimethyl-4-[2-(2-methylphenyl)diazen-1-yl]aniline |
| InChI Key | PREOKNMPMCPQQJ-UHFFFAOYSA-N |
| Molecular Formula | C15H17N3 |
4-(Phenylazo)diphenylamine 98.0+%, TCI America™
CAS: 101-75-7 Molecular Formula: C18H15N3 Molecular Weight (g/mol): 273.34 MDL Number: MFCD00003023 InChI Key: VXLFYNFOITWQPM-UHFFFAOYSA-N Synonym: 4-anilinoazobenzene,4-phenylazo diphenylamine,4-phenylazodiphenylamine,4-benzeneazodiphenylamine,benzenamine, n-phenyl-4-phenylazo,azobenzene, 4-anilino,n-phenyl-4-aminoazobenzene,4-phenylamino azobenzene,diphenylamine, 4-phenylazo,n-phenyl-4-phenylazo aniline PubChem CID: 7575 IUPAC Name: N-phenyl-4-(2-phenyldiazen-1-yl)aniline SMILES: N(C1=CC=CC=C1)C1=CC=C(C=C1)N=NC1=CC=CC=C1
| PubChem CID | 7575 |
|---|---|
| CAS | 101-75-7 |
| Molecular Weight (g/mol) | 273.34 |
| MDL Number | MFCD00003023 |
| SMILES | N(C1=CC=CC=C1)C1=CC=C(C=C1)N=NC1=CC=CC=C1 |
| Synonym | 4-anilinoazobenzene,4-phenylazo diphenylamine,4-phenylazodiphenylamine,4-benzeneazodiphenylamine,benzenamine, n-phenyl-4-phenylazo,azobenzene, 4-anilino,n-phenyl-4-aminoazobenzene,4-phenylamino azobenzene,diphenylamine, 4-phenylazo,n-phenyl-4-phenylazo aniline |
| IUPAC Name | N-phenyl-4-(2-phenyldiazen-1-yl)aniline |
| InChI Key | VXLFYNFOITWQPM-UHFFFAOYSA-N |
| Molecular Formula | C18H15N3 |
1-(2-Hydroxyethyl)piperazine 99.0+%, TCI America™
CAS: 103-76-4 Molecular Formula: C6H14N2O Molecular Weight (g/mol): 130.191 MDL Number: MFCD00005970 InChI Key: WFCSWCVEJLETKA-UHFFFAOYSA-N Synonym: n-2-hydroxyethyl piperazine,1-piperazineethanol,1-2-hydroxyethyl piperazine,hydroxyethylpiperazine,2-1-piperazinyl ethanol,2-hydroxyethylpiperazine,2-piperazinoethanol,2-piperazin-1-yl ethan-1-ol,1-piperazinethanol,4-2-hydroxyethyl piperazine PubChem CID: 7677 IUPAC Name: 2-piperazin-1-ylethanol SMILES: C1CN(CCN1)CCO
| PubChem CID | 7677 |
|---|---|
| CAS | 103-76-4 |
| Molecular Weight (g/mol) | 130.191 |
| MDL Number | MFCD00005970 |
| SMILES | C1CN(CCN1)CCO |
| Synonym | n-2-hydroxyethyl piperazine,1-piperazineethanol,1-2-hydroxyethyl piperazine,hydroxyethylpiperazine,2-1-piperazinyl ethanol,2-hydroxyethylpiperazine,2-piperazinoethanol,2-piperazin-1-yl ethan-1-ol,1-piperazinethanol,4-2-hydroxyethyl piperazine |
| IUPAC Name | 2-piperazin-1-ylethanol |
| InChI Key | WFCSWCVEJLETKA-UHFFFAOYSA-N |
| Molecular Formula | C6H14N2O |
1-(2-Pyrimidyl)piperazine Dihydrochloride 98.0+%, TCI America™
CAS: 94021-22-4 Molecular Formula: C8H14Cl2N4 Molecular Weight (g/mol): 237.128 MDL Number: MFCD00012779 InChI Key: ZNZGJSLHXOMREP-UHFFFAOYSA-N Synonym: 2-1-piperazinyl pyrimidine dihydrochloride,1-2-pyrimidyl piperazine dihydrochloride,2-piperazin-1-yl pyrimidine dihydrochloride,1-2-pyrimidinyl piperazine dihydrochloride,2-piperazinylpyrimidine hcl,2-piperazinylpyrimidine dihydrochloride,2-piperazin-1-ylpyrimidine dihydrochloride,pyrimidine, 2-1-piperazinyl-, dihydrochloride,pyrimidinylpiperazine dihydrochloride,pubchem7349 PubChem CID: 11680272 IUPAC Name: 2-piperazin-1-ylpyrimidine;dihydrochloride SMILES: C1CN(CCN1)C2=NC=CC=N2.Cl.Cl
| PubChem CID | 11680272 |
|---|---|
| CAS | 94021-22-4 |
| Molecular Weight (g/mol) | 237.128 |
| MDL Number | MFCD00012779 |
| SMILES | C1CN(CCN1)C2=NC=CC=N2.Cl.Cl |
| Synonym | 2-1-piperazinyl pyrimidine dihydrochloride,1-2-pyrimidyl piperazine dihydrochloride,2-piperazin-1-yl pyrimidine dihydrochloride,1-2-pyrimidinyl piperazine dihydrochloride,2-piperazinylpyrimidine hcl,2-piperazinylpyrimidine dihydrochloride,2-piperazin-1-ylpyrimidine dihydrochloride,pyrimidine, 2-1-piperazinyl-, dihydrochloride,pyrimidinylpiperazine dihydrochloride,pubchem7349 |
| IUPAC Name | 2-piperazin-1-ylpyrimidine;dihydrochloride |
| InChI Key | ZNZGJSLHXOMREP-UHFFFAOYSA-N |
| Molecular Formula | C8H14Cl2N4 |
Ketoconazole 98.0+%, TCI America™
CAS: 65277-42-1 Molecular Formula: C26H28Cl2N4O4 Molecular Weight (g/mol): 534.452 MDL Number: MFCD00058579 InChI Key: XMAYWYJOQHXEEK-SIULDFEJSA-N Synonym: ketoconazole PubChem CID: 76973198 IUPAC Name: 2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
| PubChem CID | 76973198 |
|---|---|
| CAS | 65277-42-1 |
| Molecular Weight (g/mol) | 534.452 |
| MDL Number | MFCD00058579 |
| SMILES | CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl |
| Synonym | ketoconazole |
| IUPAC Name | 2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone |
| InChI Key | XMAYWYJOQHXEEK-SIULDFEJSA-N |
| Molecular Formula | C26H28Cl2N4O4 |
DBD-PZ 98.0+%, TCI America™
CAS: 139332-64-2 Molecular Formula: C12H17N5O3S Molecular Weight (g/mol): 311.36 MDL Number: MFCD00191375 InChI Key: XFQLOSBBYVMBGT-UHFFFAOYSA-N Synonym: 4-(N,N-Dimethylaminosulfonyl)-7-piperazinobenzofurazan, 4-(N,N-Dimethylaminosulfonyl)-7-piperazino-2,1,3-benzoxadiazole PubChem CID: 132229 IUPAC Name: N,N-dimethyl-7-piperazin-1-yl-2,1,3-benzoxadiazole-4-sulfonamide SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCNCC3
| PubChem CID | 132229 |
|---|---|
| CAS | 139332-64-2 |
| Molecular Weight (g/mol) | 311.36 |
| MDL Number | MFCD00191375 |
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCNCC3 |
| Synonym | 4-(N,N-Dimethylaminosulfonyl)-7-piperazinobenzofurazan, 4-(N,N-Dimethylaminosulfonyl)-7-piperazino-2,1,3-benzoxadiazole |
| IUPAC Name | N,N-dimethyl-7-piperazin-1-yl-2,1,3-benzoxadiazole-4-sulfonamide |
| InChI Key | XFQLOSBBYVMBGT-UHFFFAOYSA-N |
| Molecular Formula | C12H17N5O3S |
4-(4-Methyl-1-piperazinyl)aniline 98.0+%, TCI America™
CAS: 16153-81-4 Molecular Formula: C11H18N3 Molecular Weight (g/mol): 192.29 MDL Number: MFCD00172703 InChI Key: MOZNZNKHRXRLLF-UHFFFAOYSA-O Synonym: 4-4-methylpiperazino aniline,4-4-methylpiperazin-1-yl aniline,4-methyl-1-4-aminophenyl piperazine,4-4-methyl-1-piperazinyl aniline,4-4-methylpiperazin-1-yl phenylamine,1-4-aminophenyl-4-methylpiperazine,4-4-methyl-piperazin-1-yl-phenylamine,4-4-methylpiperazin-1-yl benzenamine,benzenamine, 4-4-methyl-1-piperazinyl,4-4-methylpiperazinyl phenylamine PubChem CID: 737253 IUPAC Name: 4-(4-aminophenyl)-1-methylpiperazin-1-ium SMILES: C[NH+]1CCN(CC1)C1=CC=C(N)C=C1
| PubChem CID | 737253 |
|---|---|
| CAS | 16153-81-4 |
| Molecular Weight (g/mol) | 192.29 |
| MDL Number | MFCD00172703 |
| SMILES | C[NH+]1CCN(CC1)C1=CC=C(N)C=C1 |
| Synonym | 4-4-methylpiperazino aniline,4-4-methylpiperazin-1-yl aniline,4-methyl-1-4-aminophenyl piperazine,4-4-methyl-1-piperazinyl aniline,4-4-methylpiperazin-1-yl phenylamine,1-4-aminophenyl-4-methylpiperazine,4-4-methyl-piperazin-1-yl-phenylamine,4-4-methylpiperazin-1-yl benzenamine,benzenamine, 4-4-methyl-1-piperazinyl,4-4-methylpiperazinyl phenylamine |
| IUPAC Name | 4-(4-aminophenyl)-1-methylpiperazin-1-ium |
| InChI Key | MOZNZNKHRXRLLF-UHFFFAOYSA-O |
| Molecular Formula | C11H18N3 |