Organoheterocyclic compounds
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Ethyl 5-Nitrobenzofuran-2-carboxylate 97.0+%, TCI America™
CAS: 69604-00-8 Molecular Formula: C11H9NO5 Molecular Weight (g/mol): 235.195 MDL Number: MFCD00275272 InChI Key: ATHBGWVHAWGMAL-UHFFFAOYSA-N Synonym: ethyl 5-nitrobenzofuran-2-carboxylate,ethyl 5-nitrobenzo b furan-2-carboxylate,2-benzofurancarboxylic acid, 5-nitro-, ethyl ester,5-nitrobenzofuran-2-carboxylic acid ethyl ester,ethyl 5-nitrobenzo d furan-2-carboxylate,5-nitrobenzo b furan-2-carboxylic acid ethyl ester,pubchem15412,5-nitro-2-benzofurancarboxylic acid ethyl ester,ethylnitrobenzofurancarboxylate,ksc352c3t PubChem CID: 1382954 IUPAC Name: ethyl 5-nitro-1-benzofuran-2-carboxylate SMILES: CCOC(=O)C1=CC2=C(O1)C=CC(=C2)[N+](=O)[O-]
| PubChem CID | 1382954 |
|---|---|
| CAS | 69604-00-8 |
| Molecular Weight (g/mol) | 235.195 |
| MDL Number | MFCD00275272 |
| SMILES | CCOC(=O)C1=CC2=C(O1)C=CC(=C2)[N+](=O)[O-] |
| Synonym | ethyl 5-nitrobenzofuran-2-carboxylate,ethyl 5-nitrobenzo b furan-2-carboxylate,2-benzofurancarboxylic acid, 5-nitro-, ethyl ester,5-nitrobenzofuran-2-carboxylic acid ethyl ester,ethyl 5-nitrobenzo d furan-2-carboxylate,5-nitrobenzo b furan-2-carboxylic acid ethyl ester,pubchem15412,5-nitro-2-benzofurancarboxylic acid ethyl ester,ethylnitrobenzofurancarboxylate,ksc352c3t |
| IUPAC Name | ethyl 5-nitro-1-benzofuran-2-carboxylate |
| InChI Key | ATHBGWVHAWGMAL-UHFFFAOYSA-N |
| Molecular Formula | C11H9NO5 |
1-(tert-Butoxycarbonyl)-4-piperidinemethanol 98.0+%, TCI America™
CAS: 123855-51-6 Molecular Formula: C11H21NO3 Molecular Weight (g/mol): 215.29 MDL Number: MFCD02094488 InChI Key: CTEDVGRUGMPBHE-UHFFFAOYSA-N Synonym: n-boc-4-piperidinemethanol,tert-butyl 4-hydroxymethyl piperidine-1-carboxylate,1-boc-4-piperidinemethanol,n-boc-4-hydroxymethylpiperidine,tert-butyl 4-hydroxymethyl-1-piperidinecarboxylate,1-tert-butoxycarbonyl-4-hydroxymethyl piperidine,1-n-boc-4-hydroxymethyl-piperidine,n-boc-4-hydroxylmethylene-piperidine,1-tert-butoxycarbonyl-4-piperidinemethanol,n-tert-butoxycarbonyl-4-piperidinemethanol PubChem CID: 2764081 IUPAC Name: tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(CO)CC1
| PubChem CID | 2764081 |
|---|---|
| CAS | 123855-51-6 |
| Molecular Weight (g/mol) | 215.29 |
| MDL Number | MFCD02094488 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CO)CC1 |
| Synonym | n-boc-4-piperidinemethanol,tert-butyl 4-hydroxymethyl piperidine-1-carboxylate,1-boc-4-piperidinemethanol,n-boc-4-hydroxymethylpiperidine,tert-butyl 4-hydroxymethyl-1-piperidinecarboxylate,1-tert-butoxycarbonyl-4-hydroxymethyl piperidine,1-n-boc-4-hydroxymethyl-piperidine,n-boc-4-hydroxylmethylene-piperidine,1-tert-butoxycarbonyl-4-piperidinemethanol,n-tert-butoxycarbonyl-4-piperidinemethanol |
| IUPAC Name | tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate |
| InChI Key | CTEDVGRUGMPBHE-UHFFFAOYSA-N |
| Molecular Formula | C11H21NO3 |
Adenine 99.0+%, TCI America™
CAS: 73-24-5 Molecular Formula: C5H5N5 Molecular Weight (g/mol): 135.13 MDL Number: MFCD00041790 InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N Synonym: adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC Name: 7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC=N1
| PubChem CID | 190 |
|---|---|
| CAS | 73-24-5 |
| Molecular Weight (g/mol) | 135.13 |
| ChEBI | CHEBI:16708 |
| MDL Number | MFCD00041790 |
| SMILES | NC1=C2NC=NC2=NC=N1 |
| Synonym | adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine |
| IUPAC Name | 7H-purin-6-amine |
| InChI Key | GFFGJBXGBJISGV-UHFFFAOYSA-N |
| Molecular Formula | C5H5N5 |
4-Amino-2,2,6,6-tetramethylpiperidine 98.0+%, TCI America™
CAS: 36768-62-4 Molecular Formula: C9H22N2 Molecular Weight (g/mol): 158.29 MDL Number: MFCD00005984 InChI Key: FTVFPPFZRRKJIH-UHFFFAOYSA-P Synonym: 4-amino-2,2,6,6-tetramethylpiperidine,triacetonediamine,2,2,6,6-tetramethyl-4-aminopiperidine,4-piperidinamine, 2,2,6,6-tetramethyl,unii-etf220q65r,2,2,6,6-tetramethyl-4-piperidylamine,4-amino-2,2,6,6-tetramethyl-piperidine,piperidine, 4-amino-2,2,6,6-tetramethyl,2,2,6,6-tetramethyl-4-piperidinamine,4-amino-2,2,6,6-tetramethyl piperidine PubChem CID: 37524 IUPAC Name: 4-azaniumyl-2,2,6,6-tetramethylpiperidin-1-ium SMILES: CC1(C)CC([NH3+])CC(C)(C)[NH2+]1
| PubChem CID | 37524 |
|---|---|
| CAS | 36768-62-4 |
| Molecular Weight (g/mol) | 158.29 |
| MDL Number | MFCD00005984 |
| SMILES | CC1(C)CC([NH3+])CC(C)(C)[NH2+]1 |
| Synonym | 4-amino-2,2,6,6-tetramethylpiperidine,triacetonediamine,2,2,6,6-tetramethyl-4-aminopiperidine,4-piperidinamine, 2,2,6,6-tetramethyl,unii-etf220q65r,2,2,6,6-tetramethyl-4-piperidylamine,4-amino-2,2,6,6-tetramethyl-piperidine,piperidine, 4-amino-2,2,6,6-tetramethyl,2,2,6,6-tetramethyl-4-piperidinamine,4-amino-2,2,6,6-tetramethyl piperidine |
| IUPAC Name | 4-azaniumyl-2,2,6,6-tetramethylpiperidin-1-ium |
| InChI Key | FTVFPPFZRRKJIH-UHFFFAOYSA-P |
| Molecular Formula | C9H22N2 |
Arprinocid 95.0+%, TCI America™
CAS: 55779-18-5 Molecular Formula: C12H9ClFN5 Molecular Weight (g/mol): 277.69 MDL Number: MFCD00867210 InChI Key: NAPNOSFRRMHNBJ-UHFFFAOYSA-N Synonym: 9-(2-Chloro-6-fluorobenzyl)-9H-purin-6-amine, Arpocox PubChem CID: 41574 IUPAC Name: 9-[(2-chloro-6-fluorophenyl)methyl]-9H-purin-6-amine SMILES: NC1=C2N=CN(CC3=C(F)C=CC=C3Cl)C2=NC=N1
| PubChem CID | 41574 |
|---|---|
| CAS | 55779-18-5 |
| Molecular Weight (g/mol) | 277.69 |
| MDL Number | MFCD00867210 |
| SMILES | NC1=C2N=CN(CC3=C(F)C=CC=C3Cl)C2=NC=N1 |
| Synonym | 9-(2-Chloro-6-fluorobenzyl)-9H-purin-6-amine, Arpocox |
| IUPAC Name | 9-[(2-chloro-6-fluorophenyl)methyl]-9H-purin-6-amine |
| InChI Key | NAPNOSFRRMHNBJ-UHFFFAOYSA-N |
| Molecular Formula | C12H9ClFN5 |
2-Bromo-5-nitrofuran 98.0+%, TCI America™
CAS: 823-73-4 Molecular Formula: C4H2BrNO3 Molecular Weight (g/mol): 191.97 MDL Number: MFCD00142879 InChI Key: QGTDMAKRJHGXOF-UHFFFAOYSA-N PubChem CID: 233582 IUPAC Name: 2-bromo-5-nitrofuran SMILES: [O-][N+](=O)C1=CC=C(Br)O1
| PubChem CID | 233582 |
|---|---|
| CAS | 823-73-4 |
| Molecular Weight (g/mol) | 191.97 |
| MDL Number | MFCD00142879 |
| SMILES | [O-][N+](=O)C1=CC=C(Br)O1 |
| IUPAC Name | 2-bromo-5-nitrofuran |
| InChI Key | QGTDMAKRJHGXOF-UHFFFAOYSA-N |
| Molecular Formula | C4H2BrNO3 |
4-n-Octyl-4H-dithieno[3,2-b:2',3'-d]pyrrole 98.0+%, TCI America™
CAS: 141029-75-6 Molecular Formula: C16H21NS2 Molecular Weight (g/mol): 291.47 MDL Number: MFCD26793506 InChI Key: GGCJLBJHTUIOES-UHFFFAOYSA-N PubChem CID: 11033644 IUPAC Name: 7-octyl-3,11-dithia-7-azatricyclo[6.3.0.0²,⁶]undeca-1(8),2(6),4,9-tetraene SMILES: CCCCCCCCN1C2=C(SC=C2)C2=C1C=CS2
| PubChem CID | 11033644 |
|---|---|
| CAS | 141029-75-6 |
| Molecular Weight (g/mol) | 291.47 |
| MDL Number | MFCD26793506 |
| SMILES | CCCCCCCCN1C2=C(SC=C2)C2=C1C=CS2 |
| IUPAC Name | 7-octyl-3,11-dithia-7-azatricyclo[6.3.0.0²,⁶]undeca-1(8),2(6),4,9-tetraene |
| InChI Key | GGCJLBJHTUIOES-UHFFFAOYSA-N |
| Molecular Formula | C16H21NS2 |
5-Nitro-2-furaldehyde Diacetate 97.0+%, TCI America™
CAS: 92-55-7 Molecular Formula: C9H9NO7 Molecular Weight (g/mol): 243.171 MDL Number: MFCD00003244 InChI Key: HSXKWKJCZNRMJO-UHFFFAOYSA-N Synonym: 5-nitro-2-furaldehyde diacetate,2-diacetoxymethyl-5-nitrofuran,5-nitro-2-furanmethanediol diacetate,5-nitrofurfural diacetate,5-nitrofurfurylidene diacetate,5-nitrofuran-2-yl methylene diacetate,nitrofuraldehyde diacetate,5-nitro-2-furfural diacetate,5-nitrofuraldehyde diacetate,5-nitro-2-furfuraldehyde diacetate PubChem CID: 7097 IUPAC Name: [acetyloxy-(5-nitrofuran-2-yl)methyl] acetate SMILES: CC(=O)OC(C1=CC=C(O1)[N+](=O)[O-])OC(=O)C
| PubChem CID | 7097 |
|---|---|
| CAS | 92-55-7 |
| Molecular Weight (g/mol) | 243.171 |
| MDL Number | MFCD00003244 |
| SMILES | CC(=O)OC(C1=CC=C(O1)[N+](=O)[O-])OC(=O)C |
| Synonym | 5-nitro-2-furaldehyde diacetate,2-diacetoxymethyl-5-nitrofuran,5-nitro-2-furanmethanediol diacetate,5-nitrofurfural diacetate,5-nitrofurfurylidene diacetate,5-nitrofuran-2-yl methylene diacetate,nitrofuraldehyde diacetate,5-nitro-2-furfural diacetate,5-nitrofuraldehyde diacetate,5-nitro-2-furfuraldehyde diacetate |
| IUPAC Name | [acetyloxy-(5-nitrofuran-2-yl)methyl] acetate |
| InChI Key | HSXKWKJCZNRMJO-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO7 |
2-Furancarboxylic Acid 98.0+%, TCI America™
CAS: 88-14-2 Molecular Formula: C5H4O3 Molecular Weight (g/mol): 112.084 MDL Number: MFCD00003238 InChI Key: SMNDYUVBFMFKNZ-UHFFFAOYSA-N Synonym: 2-furoic acid,2-furancarboxylic acid,pyromucic acid,2-carboxyfuran,furoic acid,furancarboxylic acid,alpha-furoic acid,alpha-furancarboxylic acid,2-furanoic acid,kyselina 2-furoova PubChem CID: 6919 ChEBI: CHEBI:30845 IUPAC Name: furan-2-carboxylic acid SMILES: C1=COC(=C1)C(=O)O
| PubChem CID | 6919 |
|---|---|
| CAS | 88-14-2 |
| Molecular Weight (g/mol) | 112.084 |
| ChEBI | CHEBI:30845 |
| MDL Number | MFCD00003238 |
| SMILES | C1=COC(=C1)C(=O)O |
| Synonym | 2-furoic acid,2-furancarboxylic acid,pyromucic acid,2-carboxyfuran,furoic acid,furancarboxylic acid,alpha-furoic acid,alpha-furancarboxylic acid,2-furanoic acid,kyselina 2-furoova |
| IUPAC Name | furan-2-carboxylic acid |
| InChI Key | SMNDYUVBFMFKNZ-UHFFFAOYSA-N |
| Molecular Formula | C5H4O3 |
4-(4'-Bromophenyl)-4-hydroxypiperidine 98.0+%, TCI America™
CAS: 57988-58-6 Molecular Formula: C11H15BrNO Molecular Weight (g/mol): 257.15 MDL Number: MFCD00067034 InChI Key: QNLXJYQUWCNYBH-UHFFFAOYSA-O Synonym: 4-4-bromophenyl piperidin-4-ol,4-4'-bromophenyl-4-hydroxypiperidine,4-4-bromophenyl-4-piperidinol,4-4-bromophenyl-4-hydroxy piperidine,4-piperidinol, 4-4-bromophenyl,4-piperidinol,4-4-bromophenyl,4-4-bromophenyl-4-hydroxypiperidine,4-4-bromophenyl-piperidin-4-ol,4-4-bromo-phenyl-piperidin-4-ol,4-4-bromophenyl-4-piperidinol # PubChem CID: 93911 IUPAC Name: 4-(4-bromophenyl)-4-hydroxypiperidin-1-ium SMILES: OC1(CC[NH2+]CC1)C1=CC=C(Br)C=C1
| PubChem CID | 93911 |
|---|---|
| CAS | 57988-58-6 |
| Molecular Weight (g/mol) | 257.15 |
| MDL Number | MFCD00067034 |
| SMILES | OC1(CC[NH2+]CC1)C1=CC=C(Br)C=C1 |
| Synonym | 4-4-bromophenyl piperidin-4-ol,4-4'-bromophenyl-4-hydroxypiperidine,4-4-bromophenyl-4-piperidinol,4-4-bromophenyl-4-hydroxy piperidine,4-piperidinol, 4-4-bromophenyl,4-piperidinol,4-4-bromophenyl,4-4-bromophenyl-4-hydroxypiperidine,4-4-bromophenyl-piperidin-4-ol,4-4-bromo-phenyl-piperidin-4-ol,4-4-bromophenyl-4-piperidinol # |
| IUPAC Name | 4-(4-bromophenyl)-4-hydroxypiperidin-1-ium |
| InChI Key | QNLXJYQUWCNYBH-UHFFFAOYSA-O |
| Molecular Formula | C11H15BrNO |
Methyl 5-Bromo-2-furancarboxylate 98.0+%, TCI America™
CAS: 2527-99-3 Molecular Formula: C6H5BrO3 Molecular Weight (g/mol): 205.007 MDL Number: MFCD00092313 InChI Key: FBPIDMAELBIRLE-UHFFFAOYSA-N Synonym: methyl 5-bromo-2-furoate,methyl 5-bromo-2-furancarboxylate,5-bromo-2-furoic acid methyl ester,2-furancarboxylic acid, 5-bromo-, methyl ester,5-bromo-2-furancarboxylic acid methyl ester,5-bromofuran-2-carboxylic acid methyl ester,methyl 5-bromofuroate,2-furoic acid, 5-bromo-, methyl ester,methyl 5-bromo-furanate,maybridge1_004996 PubChem CID: 599633 IUPAC Name: methyl 5-bromofuran-2-carboxylate SMILES: COC(=O)C1=CC=C(O1)Br
| PubChem CID | 599633 |
|---|---|
| CAS | 2527-99-3 |
| Molecular Weight (g/mol) | 205.007 |
| MDL Number | MFCD00092313 |
| SMILES | COC(=O)C1=CC=C(O1)Br |
| Synonym | methyl 5-bromo-2-furoate,methyl 5-bromo-2-furancarboxylate,5-bromo-2-furoic acid methyl ester,2-furancarboxylic acid, 5-bromo-, methyl ester,5-bromo-2-furancarboxylic acid methyl ester,5-bromofuran-2-carboxylic acid methyl ester,methyl 5-bromofuroate,2-furoic acid, 5-bromo-, methyl ester,methyl 5-bromo-furanate,maybridge1_004996 |
| IUPAC Name | methyl 5-bromofuran-2-carboxylate |
| InChI Key | FBPIDMAELBIRLE-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrO3 |
Methyl 4,5-Dibromo-2-furancarboxylate 95.0+%, TCI America™
CAS: 54113-41-6 Molecular Formula: C6H4Br2O3 Molecular Weight (g/mol): 283.903 MDL Number: MFCD00092493 InChI Key: OIOPUTCGINQNRL-UHFFFAOYSA-N Synonym: 4,5-Dibromo-2-furancarboxylic Acid Methyl Ester, Methyl 4,5-Dibromo-2-furoate, 4,5-Dibromo-2-furoic Acid Methyl Ester PubChem CID: 4135083 IUPAC Name: methyl 4,5-dibromofuran-2-carboxylate SMILES: COC(=O)C1=CC(=C(O1)Br)Br
| PubChem CID | 4135083 |
|---|---|
| CAS | 54113-41-6 |
| Molecular Weight (g/mol) | 283.903 |
| MDL Number | MFCD00092493 |
| SMILES | COC(=O)C1=CC(=C(O1)Br)Br |
| Synonym | 4,5-Dibromo-2-furancarboxylic Acid Methyl Ester, Methyl 4,5-Dibromo-2-furoate, 4,5-Dibromo-2-furoic Acid Methyl Ester |
| IUPAC Name | methyl 4,5-dibromofuran-2-carboxylate |
| InChI Key | OIOPUTCGINQNRL-UHFFFAOYSA-N |
| Molecular Formula | C6H4Br2O3 |
2,5-Dimethylfuran 98.0+%, TCI America™
CAS: 625-86-5 Molecular Formula: C6H8O Molecular Weight (g/mol): 96.129 MDL Number: MFCD00003250 InChI Key: GSNUFIFRDBKVIE-UHFFFAOYSA-N Synonym: furan, 2,5-dimethyl,2,5-dimethylfurane,2,5-dimethyl-furan,2,5-dimethyl furane,unii-dr5hl9oj7y,ccris 3158,2,5-dimethyl furan,dr5hl9oj7y,2.5-dimethyl furan,acmc-1avpg PubChem CID: 12266 IUPAC Name: 2,5-dimethylfuran SMILES: CC1=CC=C(O1)C
| PubChem CID | 12266 |
|---|---|
| CAS | 625-86-5 |
| Molecular Weight (g/mol) | 96.129 |
| MDL Number | MFCD00003250 |
| SMILES | CC1=CC=C(O1)C |
| Synonym | furan, 2,5-dimethyl,2,5-dimethylfurane,2,5-dimethyl-furan,2,5-dimethyl furane,unii-dr5hl9oj7y,ccris 3158,2,5-dimethyl furan,dr5hl9oj7y,2.5-dimethyl furan,acmc-1avpg |
| IUPAC Name | 2,5-dimethylfuran |
| InChI Key | GSNUFIFRDBKVIE-UHFFFAOYSA-N |
| Molecular Formula | C6H8O |
2-(Trimethylsilylethynyl)thiophene 98.0+%, TCI America™
CAS: 40231-03-6 Molecular Formula: C9H12SSi Molecular Weight (g/mol): 180.34 MDL Number: MFCD03427125 InChI Key: OQUBLKNISPLGJP-UHFFFAOYSA-N Synonym: Trimethyl(thiophen-2-ylethynyl)silane PubChem CID: 596870 IUPAC Name: trimethyl[2-(thiophen-2-yl)ethynyl]silane SMILES: C[Si](C)(C)C#CC1=CC=CS1
| PubChem CID | 596870 |
|---|---|
| CAS | 40231-03-6 |
| Molecular Weight (g/mol) | 180.34 |
| MDL Number | MFCD03427125 |
| SMILES | C[Si](C)(C)C#CC1=CC=CS1 |
| Synonym | Trimethyl(thiophen-2-ylethynyl)silane |
| IUPAC Name | trimethyl[2-(thiophen-2-yl)ethynyl]silane |
| InChI Key | OQUBLKNISPLGJP-UHFFFAOYSA-N |
| Molecular Formula | C9H12SSi |
Thiophene-3-acetic Acid 98.0+%, TCI America™
CAS: 6964-21-2 Molecular Formula: C6H6O2S Molecular Weight (g/mol): 142.172 MDL Number: MFCD00005473 InChI Key: RCNOGGGBSSVMAS-UHFFFAOYSA-N Synonym: 3-thiopheneacetic acid,3-thienylacetic acid,2-thiophen-3-yl acetic acid,thiophene-3-acetic acid,thiophen-3-yl-acetic acid,3-thiophenacetic acid,thien-3-ylacetic acid,3-thiopheneethanoic acid,thiophen-3-ylacetic acid,2-3-thienyl acetic acid PubChem CID: 23404 IUPAC Name: 2-thiophen-3-ylacetic acid SMILES: C1=CSC=C1CC(=O)O
| PubChem CID | 23404 |
|---|---|
| CAS | 6964-21-2 |
| Molecular Weight (g/mol) | 142.172 |
| MDL Number | MFCD00005473 |
| SMILES | C1=CSC=C1CC(=O)O |
| Synonym | 3-thiopheneacetic acid,3-thienylacetic acid,2-thiophen-3-yl acetic acid,thiophene-3-acetic acid,thiophen-3-yl-acetic acid,3-thiophenacetic acid,thien-3-ylacetic acid,3-thiopheneethanoic acid,thiophen-3-ylacetic acid,2-3-thienyl acetic acid |
| IUPAC Name | 2-thiophen-3-ylacetic acid |
| InChI Key | RCNOGGGBSSVMAS-UHFFFAOYSA-N |
| Molecular Formula | C6H6O2S |