Organoheterocyclic compounds
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2-Bromo-4-nitropyridine N-Oxide 98.0+%, TCI America™
CAS: 52092-43-0 Molecular Formula: C5H3BrN2O3 Molecular Weight (g/mol): 218.99 MDL Number: MFCD00160743 InChI Key: IRBDHXCXCSFNEQ-UHFFFAOYSA-N PubChem CID: 3904026 IUPAC Name: 2-bromo-4-nitropyridin-1-ium-1-olate SMILES: [O-][N+](=O)C1=CC=[N+]([O-])C(Br)=C1
| PubChem CID | 3904026 |
|---|---|
| CAS | 52092-43-0 |
| Molecular Weight (g/mol) | 218.99 |
| MDL Number | MFCD00160743 |
| SMILES | [O-][N+](=O)C1=CC=[N+]([O-])C(Br)=C1 |
| IUPAC Name | 2-bromo-4-nitropyridin-1-ium-1-olate |
| InChI Key | IRBDHXCXCSFNEQ-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrN2O3 |
Thiamine Nitrate 98.0+%, TCI America™
CAS: 532-43-4 Molecular Formula: C12H17N5O4S Molecular Weight (g/mol): 327.36 MDL Number: MFCD00036330 InChI Key: UIERGBJEBXXIGO-UHFFFAOYSA-N Synonym: thiamine nitrate,thiamine mononitrate,vitamin b1 nitrate,vitamin b1 mononitrate,aneurine mononitrate,aneurine nitrate,betabion mononitrate,thiamine nitrate salt,vitamin b sub 1 nitrate,thiamine mononitrate usp PubChem CID: 10762 IUPAC Name: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-3H-1λ⁴,3-thiazol-1-ylium nitrate SMILES: [O-][N+]([O-])=O.CC1=C(CCO)[S+]=CN1CC1=CN=C(C)N=C1N
| PubChem CID | 10762 |
|---|---|
| CAS | 532-43-4 |
| Molecular Weight (g/mol) | 327.36 |
| MDL Number | MFCD00036330 |
| SMILES | [O-][N+]([O-])=O.CC1=C(CCO)[S+]=CN1CC1=CN=C(C)N=C1N |
| Synonym | thiamine nitrate,thiamine mononitrate,vitamin b1 nitrate,vitamin b1 mononitrate,aneurine mononitrate,aneurine nitrate,betabion mononitrate,thiamine nitrate salt,vitamin b sub 1 nitrate,thiamine mononitrate usp |
| IUPAC Name | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-3H-1λ⁴,3-thiazol-1-ylium nitrate |
| InChI Key | UIERGBJEBXXIGO-UHFFFAOYSA-N |
| Molecular Formula | C12H17N5O4S |
4-Methyl-2-phenylimidazole 93.0+%, TCI America™
CAS: 827-43-0 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00047015 InChI Key: TYOXIFXYEIILLY-UHFFFAOYSA-N PubChem CID: 70012 IUPAC Name: 5-methyl-2-phenyl-1H-imidazole SMILES: CC1=CN=C(N1)C1=CC=CC=C1
| PubChem CID | 70012 |
|---|---|
| CAS | 827-43-0 |
| Molecular Weight (g/mol) | 158.20 |
| MDL Number | MFCD00047015 |
| SMILES | CC1=CN=C(N1)C1=CC=CC=C1 |
| IUPAC Name | 5-methyl-2-phenyl-1H-imidazole |
| InChI Key | TYOXIFXYEIILLY-UHFFFAOYSA-N |
| Molecular Formula | C10H10N2 |
4-Vinylpyridine (stabilized with HQ) 95.0+%, TCI America™
CAS: 100-43-6 Molecular Formula: C7H7N Molecular Weight (g/mol): 105.14 MDL Number: MFCD00006447 InChI Key: KFDVPJUYSDEJTH-UHFFFAOYSA-N Synonym: 4-vinylpyridine,pyridine, 4-ethenyl,pyridine, 4-vinyl,gamma-vinylpyridine,unii-i56g67xm8d,ccris 5240,4vp,4-pyridylethylene,4-vinyl-pyridine,4-vinyl pyridine PubChem CID: 7502 IUPAC Name: 4-ethenylpyridine SMILES: C=CC1=CC=NC=C1
| PubChem CID | 7502 |
|---|---|
| CAS | 100-43-6 |
| Molecular Weight (g/mol) | 105.14 |
| MDL Number | MFCD00006447 |
| SMILES | C=CC1=CC=NC=C1 |
| Synonym | 4-vinylpyridine,pyridine, 4-ethenyl,pyridine, 4-vinyl,gamma-vinylpyridine,unii-i56g67xm8d,ccris 5240,4vp,4-pyridylethylene,4-vinyl-pyridine,4-vinyl pyridine |
| IUPAC Name | 4-ethenylpyridine |
| InChI Key | KFDVPJUYSDEJTH-UHFFFAOYSA-N |
| Molecular Formula | C7H7N |
2,4,4-Trimethyl-2-oxazoline 98.0+%, TCI America™
CAS: 1772-43-6 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00005301 InChI Key: HZRZMHNRCSIQFT-UHFFFAOYSA-N Synonym: 2,4,4-trimethyl-2-oxazoline,2,4,4-trimethyl-4,5-dihydrooxazole,4,5-dihydro-2,4,4-trimethyloxazole,oxazole, 4,5-dihydro-2,4,4-trimethyl,2,4,4-trimethyloxazoline,oxazole,4,5-dihydro-2,4,4-trimethyl,2,4,4-trimethyl-1,3-oxazoline,pubchem24351,acmc-1bsc7,2,4,4-trimethyl-5h-oxazole PubChem CID: 74496 IUPAC Name: 2,4,4-trimethyl-5H-1,3-oxazole SMILES: CC1=NC(CO1)(C)C
| PubChem CID | 74496 |
|---|---|
| CAS | 1772-43-6 |
| Molecular Weight (g/mol) | 113.16 |
| MDL Number | MFCD00005301 |
| SMILES | CC1=NC(CO1)(C)C |
| Synonym | 2,4,4-trimethyl-2-oxazoline,2,4,4-trimethyl-4,5-dihydrooxazole,4,5-dihydro-2,4,4-trimethyloxazole,oxazole, 4,5-dihydro-2,4,4-trimethyl,2,4,4-trimethyloxazoline,oxazole,4,5-dihydro-2,4,4-trimethyl,2,4,4-trimethyl-1,3-oxazoline,pubchem24351,acmc-1bsc7,2,4,4-trimethyl-5h-oxazole |
| IUPAC Name | 2,4,4-trimethyl-5H-1,3-oxazole |
| InChI Key | HZRZMHNRCSIQFT-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO |
6-Chloro-4-quinolinol 98.0+%, TCI America™
CAS: 23432-43-1 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.603 MDL Number: MFCD00024011 InChI Key: XXGUQCVVGPZTPF-UHFFFAOYSA-N Synonym: 6-Chloro-4-hydroxyquinoline PubChem CID: 220929 IUPAC Name: 6-chloro-1H-quinolin-4-one SMILES: C1=CC2=C(C=C1Cl)C(=O)C=CN2
| PubChem CID | 220929 |
|---|---|
| CAS | 23432-43-1 |
| Molecular Weight (g/mol) | 179.603 |
| MDL Number | MFCD00024011 |
| SMILES | C1=CC2=C(C=C1Cl)C(=O)C=CN2 |
| Synonym | 6-Chloro-4-hydroxyquinoline |
| IUPAC Name | 6-chloro-1H-quinolin-4-one |
| InChI Key | XXGUQCVVGPZTPF-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO |
5-Aminoorotic Acid 97.0+%, TCI America™
CAS: 7164-43-4 Molecular Formula: C5H5N3O4 Molecular Weight (g/mol): 171.11 MDL Number: MFCD00010563 InChI Key: HWCXJKLFOSBVLH-UHFFFAOYSA-N Synonym: 5-Aminouracil-6-carboxylic Acid PubChem CID: 73018 IUPAC Name: 5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid SMILES: NC1=C(NC(=O)NC1=O)C(O)=O
| PubChem CID | 73018 |
|---|---|
| CAS | 7164-43-4 |
| Molecular Weight (g/mol) | 171.11 |
| MDL Number | MFCD00010563 |
| SMILES | NC1=C(NC(=O)NC1=O)C(O)=O |
| Synonym | 5-Aminouracil-6-carboxylic Acid |
| IUPAC Name | 5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
| InChI Key | HWCXJKLFOSBVLH-UHFFFAOYSA-N |
| Molecular Formula | C5H5N3O4 |
4-Chloro-5-methoxy-3(2H)-pyridazinone 98.0+%, TCI America™
CAS: 63910-43-0 Molecular Formula: C5H5ClN2O2 Molecular Weight (g/mol): 160.557 MDL Number: MFCD04971392 InChI Key: SUZFURZANOKZBL-UHFFFAOYSA-N PubChem CID: 819793 IUPAC Name: 5-chloro-4-methoxy-1H-pyridazin-6-one SMILES: COC1=C(C(=O)NN=C1)Cl
| PubChem CID | 819793 |
|---|---|
| CAS | 63910-43-0 |
| Molecular Weight (g/mol) | 160.557 |
| MDL Number | MFCD04971392 |
| SMILES | COC1=C(C(=O)NN=C1)Cl |
| IUPAC Name | 5-chloro-4-methoxy-1H-pyridazin-6-one |
| InChI Key | SUZFURZANOKZBL-UHFFFAOYSA-N |
| Molecular Formula | C5H5ClN2O2 |
Dibromoisocyanuric Acid 97.0+%, TCI America™
CAS: 15114-43-9 Molecular Formula: C3HBr2N3O3 Molecular Weight (g/mol): 286.867 MDL Number: MFCD00463941 InChI Key: HHBCEKAWSILOOP-UHFFFAOYSA-N Synonym: 1,3-Dibromo-1,3,5-triazine-2,4,6-trione, DBI PubChem CID: 192912 IUPAC Name: 1,3-dibromo-1,3,5-triazinane-2,4,6-trione SMILES: C1(=O)NC(=O)N(C(=O)N1Br)Br
| PubChem CID | 192912 |
|---|---|
| CAS | 15114-43-9 |
| Molecular Weight (g/mol) | 286.867 |
| MDL Number | MFCD00463941 |
| SMILES | C1(=O)NC(=O)N(C(=O)N1Br)Br |
| Synonym | 1,3-Dibromo-1,3,5-triazine-2,4,6-trione, DBI |
| IUPAC Name | 1,3-dibromo-1,3,5-triazinane-2,4,6-trione |
| InChI Key | HHBCEKAWSILOOP-UHFFFAOYSA-N |
| Molecular Formula | C3HBr2N3O3 |
2-(2-Bromoethyl)-1,3-dioxane 97.0+%, TCI America™
CAS: 33884-43-4 Molecular Formula: C6H11BrO2 Molecular Weight (g/mol): 195.06 MDL Number: MFCD00006567 InChI Key: KXMZOKKPQZRPRN-UHFFFAOYNA-N Synonym: 2-2-bromoethyl-1,3-dioxane,1,3-dioxane, 2-2-bromoethyl,3-bromopropionaldehyde trimethylene acetal,2 2-bromoethyl-1,3-dioxane,2-2-bromoethyl-1,3 dioxane,bromoethyl-1,3-dioxane,acmc-209i3o,2-2-bromoetyl 1,3-dioxane,wmdhqehpovoeog-uhfffaoysa,2-2-bromoethyl 1,3-dioxane PubChem CID: 520656 IUPAC Name: 2-(1-bromoethyl)-1,3-dioxane SMILES: CC(Br)C1OCCCO1
| PubChem CID | 520656 |
|---|---|
| CAS | 33884-43-4 |
| Molecular Weight (g/mol) | 195.06 |
| MDL Number | MFCD00006567 |
| SMILES | CC(Br)C1OCCCO1 |
| Synonym | 2-2-bromoethyl-1,3-dioxane,1,3-dioxane, 2-2-bromoethyl,3-bromopropionaldehyde trimethylene acetal,2 2-bromoethyl-1,3-dioxane,2-2-bromoethyl-1,3 dioxane,bromoethyl-1,3-dioxane,acmc-209i3o,2-2-bromoetyl 1,3-dioxane,wmdhqehpovoeog-uhfffaoysa,2-2-bromoethyl 1,3-dioxane |
| IUPAC Name | 2-(1-bromoethyl)-1,3-dioxane |
| InChI Key | KXMZOKKPQZRPRN-UHFFFAOYNA-N |
| Molecular Formula | C6H11BrO2 |
4-Methyl-2-(2-methyl-1-propenyl)tetrahydropyran (cis- and trans- mixture) 97.0+%, TCI America™
CAS: 16409-43-1 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00036607 InChI Key: CZCBTSFUTPZVKJ-UHFFFAOYSA-N PubChem CID: 27866 IUPAC Name: 4-methyl-2-(2-methylprop-1-enyl)oxane SMILES: CC1CCOC(C1)C=C(C)C
| PubChem CID | 27866 |
|---|---|
| CAS | 16409-43-1 |
| Molecular Weight (g/mol) | 154.253 |
| MDL Number | MFCD00036607 |
| SMILES | CC1CCOC(C1)C=C(C)C |
| IUPAC Name | 4-methyl-2-(2-methylprop-1-enyl)oxane |
| InChI Key | CZCBTSFUTPZVKJ-UHFFFAOYSA-N |
| Molecular Formula | C10H18O |
3-Amino-5-mercapto-1,2,4-triazole 98.0+%, TCI America™
CAS: 16691-43-3 Molecular Formula: C2H4N4S Molecular Weight (g/mol): 116.14 MDL Number: MFCD00005231 InChI Key: WZUUZPAYWFIBDF-UHFFFAOYSA-N Synonym: 3-amino-5-mercapto-1,2,4-triazole,iminothiourazole,3-imino-5-thiourazole,3-amino-1h-1,2,4-triazole-5-thiol,5-amino-4h-1,2,4-triazole-3-thiol,3-amino-1,2,4-triazole-5-thiol,s-triazole-3-thiol, 5-amino,3h-1,2,4-triazole-3-thione, 5-amino-1,2-dihydro,5-amino-1,2-dihydro-3h-1,2,4-triazole-3-thione,unii-353f2d8l1z PubChem CID: 2723869 IUPAC Name: 5-amino-2,3-dihydro-1H-1,2,4-triazole-3-thione SMILES: NC1=NC(=S)NN1
| PubChem CID | 2723869 |
|---|---|
| CAS | 16691-43-3 |
| Molecular Weight (g/mol) | 116.14 |
| MDL Number | MFCD00005231 |
| SMILES | NC1=NC(=S)NN1 |
| Synonym | 3-amino-5-mercapto-1,2,4-triazole,iminothiourazole,3-imino-5-thiourazole,3-amino-1h-1,2,4-triazole-5-thiol,5-amino-4h-1,2,4-triazole-3-thiol,3-amino-1,2,4-triazole-5-thiol,s-triazole-3-thiol, 5-amino,3h-1,2,4-triazole-3-thione, 5-amino-1,2-dihydro,5-amino-1,2-dihydro-3h-1,2,4-triazole-3-thione,unii-353f2d8l1z |
| IUPAC Name | 5-amino-2,3-dihydro-1H-1,2,4-triazole-3-thione |
| InChI Key | WZUUZPAYWFIBDF-UHFFFAOYSA-N |
| Molecular Formula | C2H4N4S |
Methyl 4-Methoxypyridine-2-carboxylate 98.0+%, TCI America™
CAS: 29681-43-4 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00956223 InChI Key: OJDKENGKKYVJLY-UHFFFAOYSA-N Synonym: methyl 4-methoxypicolinate,4-methoxy-pyridine-2-carboxylic acid methyl ester,4-methoxy-pyridine-2-carboxylicacidmethylester,2-pyridinecarboxylic acid, 4-methoxy-, methyl ester,4-methoxypicolinic acid methyl ester,4-methoxypyridine-2-carboxylic acid methyl ester,methyl 4-methoxy-2-pyridinecarboxylate,4-methoxy-pyridine-2-carboxylic acid metyl ester,pubchem11083,acmc-1b7sb PubChem CID: 1519345 IUPAC Name: methyl 4-methoxypyridine-2-carboxylate SMILES: COC1=CC(=NC=C1)C(=O)OC
| PubChem CID | 1519345 |
|---|---|
| CAS | 29681-43-4 |
| Molecular Weight (g/mol) | 167.164 |
| MDL Number | MFCD00956223 |
| SMILES | COC1=CC(=NC=C1)C(=O)OC |
| Synonym | methyl 4-methoxypicolinate,4-methoxy-pyridine-2-carboxylic acid methyl ester,4-methoxy-pyridine-2-carboxylicacidmethylester,2-pyridinecarboxylic acid, 4-methoxy-, methyl ester,4-methoxypicolinic acid methyl ester,4-methoxypyridine-2-carboxylic acid methyl ester,methyl 4-methoxy-2-pyridinecarboxylate,4-methoxy-pyridine-2-carboxylic acid metyl ester,pubchem11083,acmc-1b7sb |
| IUPAC Name | methyl 4-methoxypyridine-2-carboxylate |
| InChI Key | OJDKENGKKYVJLY-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |