Organoheterocyclic compounds
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3,4-Ethylenedioxynitrobenzene, TCI America™
CAS: 16498-20-7 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00088689 InChI Key: MQSGCURTKWHBRX-UHFFFAOYSA-N Synonym: 6-Nitro-1,4-benzodioxane PubChem CID: 85460 IUPAC Name: 6-nitro-2,3-dihydro-1,4-benzodioxine SMILES: C1COC2=C(O1)C=CC(=C2)[N+](=O)[O-]
| PubChem CID | 85460 |
|---|---|
| CAS | 16498-20-7 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00088689 |
| SMILES | C1COC2=C(O1)C=CC(=C2)[N+](=O)[O-] |
| Synonym | 6-Nitro-1,4-benzodioxane |
| IUPAC Name | 6-nitro-2,3-dihydro-1,4-benzodioxine |
| InChI Key | MQSGCURTKWHBRX-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
Isomannide 98.0+%, TCI America™
CAS: 641-74-7 Molecular Formula: C6H10O4 Molecular Weight (g/mol): 146.14 MDL Number: MFCD10698761,MFCD32202826,MFCD10698761 InChI Key: KLDXJTOLSGUMSJ-UHFFFAOYNA-N Synonym: 1,4:3,6-Dianhydromannitol PubChem CID: 12304540 IUPAC Name: hexahydrofuro[3,2-b]furan-3,6-diol SMILES: OC1COC2C(O)COC12
| PubChem CID | 12304540 |
|---|---|
| CAS | 641-74-7 |
| Molecular Weight (g/mol) | 146.14 |
| MDL Number | MFCD10698761,MFCD32202826,MFCD10698761 |
| SMILES | OC1COC2C(O)COC12 |
| Synonym | 1,4:3,6-Dianhydromannitol |
| IUPAC Name | hexahydrofuro[3,2-b]furan-3,6-diol |
| InChI Key | KLDXJTOLSGUMSJ-UHFFFAOYNA-N |
| Molecular Formula | C6H10O4 |
2-Buten-1-ylsuccinic Anhydride 98.0+%, TCI America™
CAS: 7538-42-3 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.165 MDL Number: MFCD03423563 InChI Key: YCYZOWYCOUNUTM-UHFFFAOYSA-N Synonym: 4-Hexene-1,2-dicarboxylic Anhydride PubChem CID: 548964 IUPAC Name: 3-but-2-enyloxolane-2,5-dione SMILES: CC=CCC1CC(=O)OC1=O
| PubChem CID | 548964 |
|---|---|
| CAS | 7538-42-3 |
| Molecular Weight (g/mol) | 154.165 |
| MDL Number | MFCD03423563 |
| SMILES | CC=CCC1CC(=O)OC1=O |
| Synonym | 4-Hexene-1,2-dicarboxylic Anhydride |
| IUPAC Name | 3-but-2-enyloxolane-2,5-dione |
| InChI Key | YCYZOWYCOUNUTM-UHFFFAOYSA-N |
| Molecular Formula | C8H10O3 |
2,3:5,6-Di-O-isopropylidene-D-mannofuranose 98.0+%, TCI America™
CAS: 14131-84-1 Molecular Formula: C12H20O6 Molecular Weight (g/mol): 260.286 MDL Number: MFCD00134206 InChI Key: JWWCLCNPTZHVLF-WVHJSVDISA-N Synonym: 2,3:5,6-bis-o-1-methylethylidene-,a-d-mannofuranose,3ar,4s,6r-6-2,2-dimethyl-1,3-dioxolan-4-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-ol PubChem CID: 45039045 IUPAC Name: (3aR,4S,6R)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol SMILES: CC1(OCC(O1)C2C3C(C(O2)O)OC(O3)(C)C)C
| PubChem CID | 45039045 |
|---|---|
| CAS | 14131-84-1 |
| Molecular Weight (g/mol) | 260.286 |
| MDL Number | MFCD00134206 |
| SMILES | CC1(OCC(O1)C2C3C(C(O2)O)OC(O3)(C)C)C |
| Synonym | 2,3:5,6-bis-o-1-methylethylidene-,a-d-mannofuranose,3ar,4s,6r-6-2,2-dimethyl-1,3-dioxolan-4-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-ol |
| IUPAC Name | (3aR,4S,6R)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol |
| InChI Key | JWWCLCNPTZHVLF-WVHJSVDISA-N |
| Molecular Formula | C12H20O6 |
2-Hydroxymethyl-1,4-benzodioxane 98.0+%, TCI America™
CAS: 3663-82-9 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00006822 InChI Key: GWQOQQVKVOOHTI-UHFFFAOYSA-N Synonym: 2-hydroxymethyl-1,4-benzodioxane,2,3-dihydro-benzo 1,4 dioxin-2-yl-methanol,1,4-benzodioxan-2-methanol,2,3-dihydro-1,4-benzodioxin-2-ylmethanol,2,3-dihydrobenzo b 1,4 dioxin-2-yl methanol,1,4-benzodioxane-2-methanol,2-hydroxymethyl-1,4-benzodioxan,1,4-benzodioxin-2-methanol, 2,3-dihydro PubChem CID: 19314 IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethanol SMILES: C1C(OC2=CC=CC=C2O1)CO
| PubChem CID | 19314 |
|---|---|
| CAS | 3663-82-9 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00006822 |
| SMILES | C1C(OC2=CC=CC=C2O1)CO |
| Synonym | 2-hydroxymethyl-1,4-benzodioxane,2,3-dihydro-benzo 1,4 dioxin-2-yl-methanol,1,4-benzodioxan-2-methanol,2,3-dihydro-1,4-benzodioxin-2-ylmethanol,2,3-dihydrobenzo b 1,4 dioxin-2-yl methanol,1,4-benzodioxane-2-methanol,2-hydroxymethyl-1,4-benzodioxan,1,4-benzodioxin-2-methanol, 2,3-dihydro |
| IUPAC Name | 2,3-dihydro-1,4-benzodioxin-3-ylmethanol |
| InChI Key | GWQOQQVKVOOHTI-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2-Mercaptopyridine N-Oxide Sodium Salt (40% in Water, ca. 3.3mol/L), TCI America™
CAS: 3811-73-2 Molecular Formula: C5H4NNaOS Molecular Weight (g/mol): 149.143 MDL Number: MFCD01941547 InChI Key: XNRNJIIJLOFJEK-UHFFFAOYSA-N Synonym: sodium omadine,sodium pyrithione,sodium 2-pyridylthio-n-oxide,pyrithione sodium salt,thione reagent,2-pyridinethiol-1-oxide sodium salt,2-mercaptopyridine n-oxide sodium salt,omadine sodium,sodium-2-pyridinethiol-1-oxide,sodium omadine van PubChem CID: 19658 IUPAC Name: sodium;1-oxidopyridine-2-thione SMILES: C1=CC(=S)N(C=C1)[O-].[Na+]
| PubChem CID | 19658 |
|---|---|
| CAS | 3811-73-2 |
| Molecular Weight (g/mol) | 149.143 |
| MDL Number | MFCD01941547 |
| SMILES | C1=CC(=S)N(C=C1)[O-].[Na+] |
| Synonym | sodium omadine,sodium pyrithione,sodium 2-pyridylthio-n-oxide,pyrithione sodium salt,thione reagent,2-pyridinethiol-1-oxide sodium salt,2-mercaptopyridine n-oxide sodium salt,omadine sodium,sodium-2-pyridinethiol-1-oxide,sodium omadine van |
| IUPAC Name | sodium;1-oxidopyridine-2-thione |
| InChI Key | XNRNJIIJLOFJEK-UHFFFAOYSA-N |
| Molecular Formula | C5H4NNaOS |
3',4'-(Methylenedioxy)acetophenone 98.0+%, TCI America™
CAS: 3162-29-6 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00005831 InChI Key: BMHMKWXYXFBWMI-UHFFFAOYSA-N Synonym: 3',4'-methylenedioxy acetophenone,1-benzo d 1,3 dioxol-5-yl ethanone,5-acetyl-1,3-benzodioxole,3,4-methylenedioxyacetophenone,3,4-methylenedioxy acetophenone,3',4'-methylenedioxyacetophenone,1-1,3-benzodioxol-5-yl ethanone,acetopiperone,1-1,3-benzodioxol-5-yl ethan-1-one,ethanone, 1-1,3-benzodioxol-5-yl PubChem CID: 76622 IUPAC Name: 1-(1,3-benzodioxol-5-yl)ethanone SMILES: CC(=O)C1=CC2=C(C=C1)OCO2
| PubChem CID | 76622 |
|---|---|
| CAS | 3162-29-6 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00005831 |
| SMILES | CC(=O)C1=CC2=C(C=C1)OCO2 |
| Synonym | 3',4'-methylenedioxy acetophenone,1-benzo d 1,3 dioxol-5-yl ethanone,5-acetyl-1,3-benzodioxole,3,4-methylenedioxyacetophenone,3,4-methylenedioxy acetophenone,3',4'-methylenedioxyacetophenone,1-1,3-benzodioxol-5-yl ethanone,acetopiperone,1-1,3-benzodioxol-5-yl ethan-1-one,ethanone, 1-1,3-benzodioxol-5-yl |
| IUPAC Name | 1-(1,3-benzodioxol-5-yl)ethanone |
| InChI Key | BMHMKWXYXFBWMI-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
Nitrofurazone 98.0+%, TCI America™
CAS: 59-87-0 Molecular Formula: C6H6N4O4 Molecular Weight (g/mol): 198.14 MDL Number: MFCD00003225 InChI Key: IAIWVQXQOWNYOU-FPYGCLRLSA-N Synonym: nitrofurazone,nitrofural,furacilin,furacin,furacillin,aldomycin,furacine,furaldon,nifuzon,actin-n PubChem CID: 5447130 IUPAC Name: [(E)-[(5-nitrofuran-2-yl)methylidene]amino]urea SMILES: NC(=O)N\N=C\C1=CC=C(O1)[N+]([O-])=O
| PubChem CID | 5447130 |
|---|---|
| CAS | 59-87-0 |
| Molecular Weight (g/mol) | 198.14 |
| MDL Number | MFCD00003225 |
| SMILES | NC(=O)N\N=C\C1=CC=C(O1)[N+]([O-])=O |
| Synonym | nitrofurazone,nitrofural,furacilin,furacin,furacillin,aldomycin,furacine,furaldon,nifuzon,actin-n |
| IUPAC Name | [(E)-[(5-nitrofuran-2-yl)methylidene]amino]urea |
| InChI Key | IAIWVQXQOWNYOU-FPYGCLRLSA-N |
| Molecular Formula | C6H6N4O4 |
Nicotinamide N-Oxide 98.0+%, TCI America™
CAS: 1986-81-8 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.126 MDL Number: MFCD00006202 InChI Key: USSFUVKEHXDAPM-UHFFFAOYSA-N PubChem CID: 72661 IUPAC Name: 1-oxidopyridin-1-ium-3-carboxamide SMILES: C1=CC(=C[N+](=C1)[O-])C(=O)N
| PubChem CID | 72661 |
|---|---|
| CAS | 1986-81-8 |
| Molecular Weight (g/mol) | 138.126 |
| MDL Number | MFCD00006202 |
| SMILES | C1=CC(=C[N+](=C1)[O-])C(=O)N |
| IUPAC Name | 1-oxidopyridin-1-ium-3-carboxamide |
| InChI Key | USSFUVKEHXDAPM-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O2 |
Methyl-PEG4-NHS Ester, TCI America™
CAS: 622405-78-1 Molecular Formula: C14H23NO8 Molecular Weight (g/mol): 333.337 InChI Key: MAYFFZZPEREGBQ-UHFFFAOYSA-N Synonym: N-Succinimidyl 4,7,10,13-Tetraoxatetradecanoate, 4,7,10,13-Tetraoxatetradecanoic Acid N-Succinimidyl Ester, mPEG4-NHS Ester PubChem CID: 44622261 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate SMILES: COCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
| PubChem CID | 44622261 |
|---|---|
| CAS | 622405-78-1 |
| Molecular Weight (g/mol) | 333.337 |
| SMILES | COCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O |
| Synonym | N-Succinimidyl 4,7,10,13-Tetraoxatetradecanoate, 4,7,10,13-Tetraoxatetradecanoic Acid N-Succinimidyl Ester, mPEG4-NHS Ester |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate |
| InChI Key | MAYFFZZPEREGBQ-UHFFFAOYSA-N |
| Molecular Formula | C14H23NO8 |
1,1'-Thiocarbonyldiimidazole 95.0+%, TCI America™
CAS: 6160-65-2 Molecular Formula: C7H6N4S Molecular Weight (g/mol): 178.21 MDL Number: MFCD00005289 InChI Key: RAFNCPHFRHZCPS-UHFFFAOYSA-N Synonym: 1,1'-thiocarbonyldiimidazole,thiocarbonyldiimidazole,n,n'-thiocarbonyldiimidazole,di 1h-imidazol-1-yl methanethione,1,1-thiocarbonyldiimidazole,di imidazol-1-yl methanethione,n,n'-thiocarbonyldiimidazole tcdi,1h-imidazole, 1,1'-carbonothioylbis,n,n-thiocarbonyldiimidazole,1,1'-carbonothioylbis-1h-imidazole PubChem CID: 80264 IUPAC Name: 1-(1H-imidazole-1-carbothioyl)-1H-imidazole SMILES: S=C(N1C=CN=C1)N1C=CN=C1
| PubChem CID | 80264 |
|---|---|
| CAS | 6160-65-2 |
| Molecular Weight (g/mol) | 178.21 |
| MDL Number | MFCD00005289 |
| SMILES | S=C(N1C=CN=C1)N1C=CN=C1 |
| Synonym | 1,1'-thiocarbonyldiimidazole,thiocarbonyldiimidazole,n,n'-thiocarbonyldiimidazole,di 1h-imidazol-1-yl methanethione,1,1-thiocarbonyldiimidazole,di imidazol-1-yl methanethione,n,n'-thiocarbonyldiimidazole tcdi,1h-imidazole, 1,1'-carbonothioylbis,n,n-thiocarbonyldiimidazole,1,1'-carbonothioylbis-1h-imidazole |
| IUPAC Name | 1-(1H-imidazole-1-carbothioyl)-1H-imidazole |
| InChI Key | RAFNCPHFRHZCPS-UHFFFAOYSA-N |
| Molecular Formula | C7H6N4S |
4-Nitroquinoline N-Oxide 98.0+%, TCI America™
CAS: 56-57-5 Molecular Formula: C9H6N2O3 Molecular Weight (g/mol): 190.16 MDL Number: MFCD00006738 InChI Key: YHQDZJICGQWFHK-UHFFFAOYSA-N Synonym: 4-nitroquinoline n-oxide,4-nitroquinoline 1-oxide,4-nitroquinoline-1-oxide,nitrochin,4-nitroquinoline-n-oxide,4-nqo,quinoline, 4-nitro-, 1-oxide,4-nitroquinoline oxide,4 nqo,4-nitroquinolin-1-oxide PubChem CID: 5955 ChEBI: CHEBI:16907 IUPAC Name: 4-nitroquinolin-1-ium-1-olate SMILES: [O-][N+](=O)C1=C2C=CC=CC2=[N+]([O-])C=C1
| PubChem CID | 5955 |
|---|---|
| CAS | 56-57-5 |
| Molecular Weight (g/mol) | 190.16 |
| ChEBI | CHEBI:16907 |
| MDL Number | MFCD00006738 |
| SMILES | [O-][N+](=O)C1=C2C=CC=CC2=[N+]([O-])C=C1 |
| Synonym | 4-nitroquinoline n-oxide,4-nitroquinoline 1-oxide,4-nitroquinoline-1-oxide,nitrochin,4-nitroquinoline-n-oxide,4-nqo,quinoline, 4-nitro-, 1-oxide,4-nitroquinoline oxide,4 nqo,4-nitroquinolin-1-oxide |
| IUPAC Name | 4-nitroquinolin-1-ium-1-olate |
| InChI Key | YHQDZJICGQWFHK-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O3 |
5-Nitro-2-furaldehyde 98.0+%, TCI America™
CAS: 698-63-5 Molecular Formula: C5H3NO4 Molecular Weight (g/mol): 141.082 MDL Number: MFCD00003230 InChI Key: SXINBFXPADXIEY-UHFFFAOYSA-N Synonym: 5-nitro-2-furaldehyde,5-nitrofurfural,nitrofurfural,2-furancarboxaldehyde, 5-nitro,5-nitrofurfuraldehyde,5-nitro-2-furfural,2-furaldehyde, 5-nitro,5-nitrofuraldehyde,5-nitro-2-furancarboxaldehyde,furfural, 5-nitro PubChem CID: 12774 ChEBI: CHEBI:34459 IUPAC Name: 5-nitrofuran-2-carbaldehyde SMILES: C1=C(OC(=C1)[N+](=O)[O-])C=O
| PubChem CID | 12774 |
|---|---|
| CAS | 698-63-5 |
| Molecular Weight (g/mol) | 141.082 |
| ChEBI | CHEBI:34459 |
| MDL Number | MFCD00003230 |
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])C=O |
| Synonym | 5-nitro-2-furaldehyde,5-nitrofurfural,nitrofurfural,2-furancarboxaldehyde, 5-nitro,5-nitrofurfuraldehyde,5-nitro-2-furfural,2-furaldehyde, 5-nitro,5-nitrofuraldehyde,5-nitro-2-furancarboxaldehyde,furfural, 5-nitro |
| IUPAC Name | 5-nitrofuran-2-carbaldehyde |
| InChI Key | SXINBFXPADXIEY-UHFFFAOYSA-N |
| Molecular Formula | C5H3NO4 |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline 98.0+%, TCI America™
CAS: 214360-73-3 Molecular Formula: C12H18BNO2 Molecular Weight (g/mol): 219.09 MDL Number: MFCD02093721 InChI Key: ZANPJXNYBVVNSD-UHFFFAOYSA-N Synonym: 4-aminophenylboronic acid pinacol ester,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,4-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,4-aminophenylboronic acid pinacolate,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzenamine,pinacol cyclic ester,2-4-aminophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-aminophenylboronic acid, pinacol ester,4-aminophenylboronicacidpinacolester,4-aminobenzeneboronic acid pinacol ester PubChem CID: 2734620 IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(N)C=C1
| PubChem CID | 2734620 |
|---|---|
| CAS | 214360-73-3 |
| Molecular Weight (g/mol) | 219.09 |
| MDL Number | MFCD02093721 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=C(N)C=C1 |
| Synonym | 4-aminophenylboronic acid pinacol ester,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,4-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,4-aminophenylboronic acid pinacolate,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzenamine,pinacol cyclic ester,2-4-aminophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-aminophenylboronic acid, pinacol ester,4-aminophenylboronicacidpinacolester,4-aminobenzeneboronic acid pinacol ester |
| IUPAC Name | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| InChI Key | ZANPJXNYBVVNSD-UHFFFAOYSA-N |
| Molecular Formula | C12H18BNO2 |
2,4,6-Tri([1,1'-biphenyl]-4-yl)-1,3,5-triazine 98.0+%, TCI America™
CAS: 31274-51-8 Molecular Formula: C39H27N3 Molecular Weight (g/mol): 537.666 InChI Key: CENPSTJGQOQKKW-UHFFFAOYSA-N PubChem CID: 11628027 IUPAC Name: 2,4,6-tris(4-phenylphenyl)-1,3,5-triazine SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=CC=C7
| PubChem CID | 11628027 |
|---|---|
| CAS | 31274-51-8 |
| Molecular Weight (g/mol) | 537.666 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=CC=C7 |
| IUPAC Name | 2,4,6-tris(4-phenylphenyl)-1,3,5-triazine |
| InChI Key | CENPSTJGQOQKKW-UHFFFAOYSA-N |
| Molecular Formula | C39H27N3 |