Organoheterocyclic compounds
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(1-Methyl-1H-pyrazol-5-yl)methanol, 97%, Thermo Scientific™
CAS: 84547-61-5 Molecular Formula: C5H8N2O Molecular Weight (g/mol): 112.132 MDL Number: MFCD08556301 InChI Key: WQFOGLYQVFBDEY-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazol-5-yl methanol,5-hydroxymethyl-1-methyl-1h-pyrazole,1h-pyrazole-5-methanol, 1-methyl,2-methylpyrazol-3-yl methanol,5-hydroxymethyl-1-methylpyrazole,1h-pyrazole-5-methanol,1-methyl,1-methylpyrazol-5-yl methan-1-ol,1-methylpyrazole-5-methanol,1-methyl-1h-pyrazol-5-yl ;methanol PubChem CID: 11815316 IUPAC Name: (2-methylpyrazol-3-yl)methanol SMILES: CN1C(=CC=N1)CO
| PubChem CID | 11815316 |
|---|---|
| CAS | 84547-61-5 |
| Molecular Weight (g/mol) | 112.132 |
| MDL Number | MFCD08556301 |
| SMILES | CN1C(=CC=N1)CO |
| Synonym | 1-methyl-1h-pyrazol-5-yl methanol,5-hydroxymethyl-1-methyl-1h-pyrazole,1h-pyrazole-5-methanol, 1-methyl,2-methylpyrazol-3-yl methanol,5-hydroxymethyl-1-methylpyrazole,1h-pyrazole-5-methanol,1-methyl,1-methylpyrazol-5-yl methan-1-ol,1-methylpyrazole-5-methanol,1-methyl-1h-pyrazol-5-yl ;methanol |
| IUPAC Name | (2-methylpyrazol-3-yl)methanol |
| InChI Key | WQFOGLYQVFBDEY-UHFFFAOYSA-N |
| Molecular Formula | C5H8N2O |
8-Methyl-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride, 90%, Thermo Scientific™
CAS: 646477-45-4 Molecular Formula: C8H18Cl2N2 Molecular Weight (g/mol): 213.146 MDL Number: MFCD07366481 InChI Key: KVYQKWPZQKGICY-UHFFFAOYSA-N Synonym: 8-methyl-8-azabicyclo 3.2.1 octan-3-amine dihydrochloride,8-methyl-8-aza-bicyclo 3.2.1 octan-3-amine dihydrochloride,8-azabicyclo 3.2.1 octan-3-amine, 8-methyl-, dihydrochloride,3-alpha-aminotropane dihydrochloride,8-methyl-8-azabicyclo 3.2.1 oct-3-ylamine dihydrochloride,3-amino-8-methyl-8-azabicyclo 3.2.1 octane dihydrochloride,8-methyl-8-aza-bicyclo 3.2.1 octan-3-aminedihydrochloride PubChem CID: 2775928 IUPAC Name: 8-methyl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride SMILES: CN1C2CCC1CC(C2)N.Cl.Cl
| PubChem CID | 2775928 |
|---|---|
| CAS | 646477-45-4 |
| Molecular Weight (g/mol) | 213.146 |
| MDL Number | MFCD07366481 |
| SMILES | CN1C2CCC1CC(C2)N.Cl.Cl |
| Synonym | 8-methyl-8-azabicyclo 3.2.1 octan-3-amine dihydrochloride,8-methyl-8-aza-bicyclo 3.2.1 octan-3-amine dihydrochloride,8-azabicyclo 3.2.1 octan-3-amine, 8-methyl-, dihydrochloride,3-alpha-aminotropane dihydrochloride,8-methyl-8-azabicyclo 3.2.1 oct-3-ylamine dihydrochloride,3-amino-8-methyl-8-azabicyclo 3.2.1 octane dihydrochloride,8-methyl-8-aza-bicyclo 3.2.1 octan-3-aminedihydrochloride |
| IUPAC Name | 8-methyl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride |
| InChI Key | KVYQKWPZQKGICY-UHFFFAOYSA-N |
| Molecular Formula | C8H18Cl2N2 |
1-Methyl-2-imidazolidinone, 98+%
CAS: 694-32-6 Molecular Formula: C4H8N2O Molecular Weight (g/mol): 100.12 MDL Number: MFCD00800601 InChI Key: JTPZTKBRUCILQD-UHFFFAOYSA-N PubChem CID: 567600 IUPAC Name: 1-methylimidazolidin-2-one SMILES: CN1CCNC1=O
| PubChem CID | 567600 |
|---|---|
| CAS | 694-32-6 |
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00800601 |
| SMILES | CN1CCNC1=O |
| IUPAC Name | 1-methylimidazolidin-2-one |
| InChI Key | JTPZTKBRUCILQD-UHFFFAOYSA-N |
| Molecular Formula | C4H8N2O |
2-Thiohydantoin, 98%
CAS: 503-87-7 Molecular Formula: C3H4N2OS Molecular Weight (g/mol): 116.14 MDL Number: MFCD00005277 InChI Key: UGWULZWUXSCWPX-UHFFFAOYSA-N Synonym: 2-thiohydantoin,thiohydantoin,4-imidazolidinone, 2-thioxo,2-thioxoimidazolidin-4-one,2-thioguidanthion,hydantoin, 2-thio,usaf be-25,2-thioxo-4-imidazolidinone,2-thioxo-1,3-diazolidin-4-one,glycine thiohydantoin PubChem CID: 1274030 IUPAC Name: 2-sulfanylideneimidazolidin-4-one SMILES: O=C1CNC(=S)N1
| PubChem CID | 1274030 |
|---|---|
| CAS | 503-87-7 |
| Molecular Weight (g/mol) | 116.14 |
| MDL Number | MFCD00005277 |
| SMILES | O=C1CNC(=S)N1 |
| Synonym | 2-thiohydantoin,thiohydantoin,4-imidazolidinone, 2-thioxo,2-thioxoimidazolidin-4-one,2-thioguidanthion,hydantoin, 2-thio,usaf be-25,2-thioxo-4-imidazolidinone,2-thioxo-1,3-diazolidin-4-one,glycine thiohydantoin |
| IUPAC Name | 2-sulfanylideneimidazolidin-4-one |
| InChI Key | UGWULZWUXSCWPX-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2OS |
2-Imidazolidinone hemihydrate, 98+%
CAS: 121325-67-5 Molecular Formula: C6H14N4O3 Molecular Weight (g/mol): 190.20 MDL Number: MFCD02662355 InChI Key: KPRJGGOOWATRNT-UHFFFAOYSA-N Synonym: imidazolidin-2-one hydrate,2-imidazolidinone hemihydrate,2-imidazolidone hemihydrate,bis imidazolidin-2-one hydrate,bis imidazolidinone hydrate,2-imidazolidinone, hydrate 2:1,imidazolidin-2-one, imidazolidin-2-one, hydrate PubChem CID: 2723651 IUPAC Name: imidazolidin-2-one;hydrate SMILES: O.O=C1NCCN1.O=C1NCCN1
| PubChem CID | 2723651 |
|---|---|
| CAS | 121325-67-5 |
| Molecular Weight (g/mol) | 190.20 |
| MDL Number | MFCD02662355 |
| SMILES | O.O=C1NCCN1.O=C1NCCN1 |
| Synonym | imidazolidin-2-one hydrate,2-imidazolidinone hemihydrate,2-imidazolidone hemihydrate,bis imidazolidin-2-one hydrate,bis imidazolidinone hydrate,2-imidazolidinone, hydrate 2:1,imidazolidin-2-one, imidazolidin-2-one, hydrate |
| IUPAC Name | imidazolidin-2-one;hydrate |
| InChI Key | KPRJGGOOWATRNT-UHFFFAOYSA-N |
| Molecular Formula | C6H14N4O3 |
6-Bromopyridine-2-carboxamide, 97%
CAS: 25194-52-9 Molecular Formula: C6H5BrN2O Molecular Weight (g/mol): 201.02 MDL Number: MFCD00234154 InChI Key: HWRUOHMDYQEWOD-UHFFFAOYSA-N PubChem CID: 21961408 IUPAC Name: 6-bromopyridine-2-carboxamide SMILES: NC(=O)C1=NC(Br)=CC=C1
| PubChem CID | 21961408 |
|---|---|
| CAS | 25194-52-9 |
| Molecular Weight (g/mol) | 201.02 |
| MDL Number | MFCD00234154 |
| SMILES | NC(=O)C1=NC(Br)=CC=C1 |
| IUPAC Name | 6-bromopyridine-2-carboxamide |
| InChI Key | HWRUOHMDYQEWOD-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrN2O |
3-Methylpyridine-4-boronic acid pinacol ester, 95%
CAS: 1032358-00-1 Molecular Formula: C12H18BNO2 Molecular Weight (g/mol): 219.091 MDL Number: MFCD07374972 InChI Key: MMCGEOWPLNVYGO-UHFFFAOYSA-N Synonym: 3-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,3-methylpyridine-4-boronic acid pinacol ester,3-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,pyridine, 3-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,3-methylpyridin-4-ylboronic acid pinacol ester,2-3-methyl-4-pyridinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-pyridine,3-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridine PubChem CID: 45588135 IUPAC Name: 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=NC=C2)C
| PubChem CID | 45588135 |
|---|---|
| CAS | 1032358-00-1 |
| Molecular Weight (g/mol) | 219.091 |
| MDL Number | MFCD07374972 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=C(C=NC=C2)C |
| Synonym | 3-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,3-methylpyridine-4-boronic acid pinacol ester,3-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,pyridine, 3-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,3-methylpyridin-4-ylboronic acid pinacol ester,2-3-methyl-4-pyridinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-pyridine,3-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridine |
| IUPAC Name | 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| InChI Key | MMCGEOWPLNVYGO-UHFFFAOYSA-N |
| Molecular Formula | C12H18BNO2 |
2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
CAS: 70291-62-2 Molecular Formula: C8H8N2S Molecular Weight (g/mol): 164.23 MDL Number: MFCD00121495 InChI Key: RILAXFOADRDGPQ-UHFFFAOYSA-N PubChem CID: 258182 IUPAC Name: 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile SMILES: NC1=C(C#N)C2=C(CCC2)S1
| PubChem CID | 258182 |
|---|---|
| CAS | 70291-62-2 |
| Molecular Weight (g/mol) | 164.23 |
| MDL Number | MFCD00121495 |
| SMILES | NC1=C(C#N)C2=C(CCC2)S1 |
| IUPAC Name | 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile |
| InChI Key | RILAXFOADRDGPQ-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2S |
3,5-Dimethylpyridine-4-boronic acid pinacol ester, 95%
CAS: 1032358-02-3 Molecular Formula: C13H20BNO2 Molecular Weight (g/mol): 233.12 MDL Number: MFCD10566506 InChI Key: PLCYEDJFSPVVLL-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,3,5-dimethylpyridine-4-boronic acid pinacol ester,2-3,5-dimethyl-4-pyridinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridine,3,5-dimethyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine PubChem CID: 45588136 IUPAC Name: 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine SMILES: CC1=CN=CC(C)=C1B1OC(C)(C)C(C)(C)O1
| PubChem CID | 45588136 |
|---|---|
| CAS | 1032358-02-3 |
| Molecular Weight (g/mol) | 233.12 |
| MDL Number | MFCD10566506 |
| SMILES | CC1=CN=CC(C)=C1B1OC(C)(C)C(C)(C)O1 |
| Synonym | 3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,3,5-dimethylpyridine-4-boronic acid pinacol ester,2-3,5-dimethyl-4-pyridinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridine,3,5-dimethyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine |
| IUPAC Name | 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| InChI Key | PLCYEDJFSPVVLL-UHFFFAOYSA-N |
| Molecular Formula | C13H20BNO2 |
2-Ethyl-5,5-dimethyl-1,3-dioxane solution in acetonitrile (1000mg/L)
CAS: 768-58-1 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD16622268 InChI Key: QSHOOPIYPOINNH-UHFFFAOYSA-N Synonym: solution in acetonitrile 1000mg/l,1,3-dioxane, 2-ethyl-5,5-dimethyl PubChem CID: 69852 IUPAC Name: 2-ethyl-5,5-dimethyl-1,3-dioxane SMILES: CCC1OCC(CO1)(C)C
| PubChem CID | 69852 |
|---|---|
| CAS | 768-58-1 |
| Molecular Weight (g/mol) | 144.214 |
| MDL Number | MFCD16622268 |
| SMILES | CCC1OCC(CO1)(C)C |
| Synonym | solution in acetonitrile 1000mg/l,1,3-dioxane, 2-ethyl-5,5-dimethyl |
| IUPAC Name | 2-ethyl-5,5-dimethyl-1,3-dioxane |
| InChI Key | QSHOOPIYPOINNH-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
4-Chloro-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine, 96%
CAS: 300816-22-2 Molecular Formula: C9H7ClN2S Molecular Weight (g/mol): 210.68 MDL Number: MFCD00572400 InChI Key: JKXJMJPJOYMQSK-UHFFFAOYSA-N PubChem CID: 789817 IUPAC Name: 1-chloro-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidine SMILES: ClC1=C2C3=C(CCC3)SC2=NC=N1
| PubChem CID | 789817 |
|---|---|
| CAS | 300816-22-2 |
| Molecular Weight (g/mol) | 210.68 |
| MDL Number | MFCD00572400 |
| SMILES | ClC1=C2C3=C(CCC3)SC2=NC=N1 |
| IUPAC Name | 1-chloro-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidine |
| InChI Key | JKXJMJPJOYMQSK-UHFFFAOYSA-N |
| Molecular Formula | C9H7ClN2S |
3-Amino-1-(4-chlorophenyl)-1H-pyrazole, 95%, Thermo Scientific™
CAS: 66000-39-3 Molecular Formula: C9H8ClN3 Molecular Weight (g/mol): 193.634 MDL Number: MFCD09027932 InChI Key: SHCVEWFQFUKSDP-UHFFFAOYSA-N Synonym: 1-4-chlorophenyl-1h-pyrazol-3-amine,3-amino-1-4-chlorophenyl-1h-pyrazole,1-4-chlorophenyl pyrazol-3-amine,1-p-chlorophenyl-3-amino-pyrazole,1-4-chlorophenyl-1h-pyrazol-3-ylamine,1-4-chloro-phenyl-1h-pyrazol-3-ylamine PubChem CID: 13626945 IUPAC Name: 1-(4-chlorophenyl)pyrazol-3-amine SMILES: C1=CC(=CC=C1N2C=CC(=N2)N)Cl
| PubChem CID | 13626945 |
|---|---|
| CAS | 66000-39-3 |
| Molecular Weight (g/mol) | 193.634 |
| MDL Number | MFCD09027932 |
| SMILES | C1=CC(=CC=C1N2C=CC(=N2)N)Cl |
| Synonym | 1-4-chlorophenyl-1h-pyrazol-3-amine,3-amino-1-4-chlorophenyl-1h-pyrazole,1-4-chlorophenyl pyrazol-3-amine,1-p-chlorophenyl-3-amino-pyrazole,1-4-chlorophenyl-1h-pyrazol-3-ylamine,1-4-chloro-phenyl-1h-pyrazol-3-ylamine |
| IUPAC Name | 1-(4-chlorophenyl)pyrazol-3-amine |
| InChI Key | SHCVEWFQFUKSDP-UHFFFAOYSA-N |
| Molecular Formula | C9H8ClN3 |
2-Nitropyridine-4-carboxylic acid, 95%, Thermo Scientific Chemicals
CAS: 33225-74-0 Molecular Formula: C6H4N2O4 Molecular Weight (g/mol): 168.108 MDL Number: MFCD04114160 InChI Key: SXERXZLYZFAKBX-UHFFFAOYSA-N Synonym: 2-nitropyridine-4-carboxylic acid,2-nitroisonicotinic acid,2-nitro-4-pyridinecarboxylic acid,2-nitro-4-pyridine carboxylic acid,2-nitro-isonicotinic acid,2-nitropyridine-4-carboxylicacid,4-pyridinecarboxylic acid, 2-nitro,2-nitroisonicotinicacid,ksc222a1b PubChem CID: 2762837 SMILES: C1=CN=C(C=C1C(=O)O)[N+](=O)[O-]
| PubChem CID | 2762837 |
|---|---|
| CAS | 33225-74-0 |
| Molecular Weight (g/mol) | 168.108 |
| MDL Number | MFCD04114160 |
| SMILES | C1=CN=C(C=C1C(=O)O)[N+](=O)[O-] |
| Synonym | 2-nitropyridine-4-carboxylic acid,2-nitroisonicotinic acid,2-nitro-4-pyridinecarboxylic acid,2-nitro-4-pyridine carboxylic acid,2-nitro-isonicotinic acid,2-nitropyridine-4-carboxylicacid,4-pyridinecarboxylic acid, 2-nitro,2-nitroisonicotinicacid,ksc222a1b |
| InChI Key | SXERXZLYZFAKBX-UHFFFAOYSA-N |
| Molecular Formula | C6H4N2O4 |
5-Amino-2-bromo-3-fluoropyridine, 97%, Thermo Scientific™
CAS: 1256276-41-1 Molecular Formula: C5H4BrFN2 Molecular Weight (g/mol): 191.003 MDL Number: MFCD21099397 InChI Key: DDJLNVAJTGIWNJ-UHFFFAOYSA-N Synonym: 5-amino-2-bromo-3-fluoropyridine,3-pyridinamine, 6-bromo-5-fluoro PubChem CID: 71741382 IUPAC Name: 6-bromo-5-fluoropyridin-3-amine SMILES: C1=C(C=NC(=C1F)Br)N
| PubChem CID | 71741382 |
|---|---|
| CAS | 1256276-41-1 |
| Molecular Weight (g/mol) | 191.003 |
| MDL Number | MFCD21099397 |
| SMILES | C1=C(C=NC(=C1F)Br)N |
| Synonym | 5-amino-2-bromo-3-fluoropyridine,3-pyridinamine, 6-bromo-5-fluoro |
| IUPAC Name | 6-bromo-5-fluoropyridin-3-amine |
| InChI Key | DDJLNVAJTGIWNJ-UHFFFAOYSA-N |
| Molecular Formula | C5H4BrFN2 |
trans-3-(3-Thienyl)acrylic acid, 98%
CAS: 102696-71-9 Molecular Formula: C7H6O2S Molecular Weight (g/mol): 154.183 MDL Number: MFCD00014535 InChI Key: VYRYYUKILKRGDN-OWOJBTEDSA-N Synonym: 3-3-thienyl acrylic acid,3-thien-3-ylacrylic acid,3-thiophen-3-yl acrylic acid,trans-3-3-thienyl acrylic acid,2e-3-thiophen-3-yl prop-2-enoic acid,e-3-thiophen-3-yl acrylic acid,3-thiophen-3-yl prop-2-enoic acid,trans-3-3-thienyl acrylic,2-propenoic acid, 3-3-thienyl-, 2e,2e-3-3-thienyl prop-2-enoic acid PubChem CID: 735793 IUPAC Name: (E)-3-thiophen-3-ylprop-2-enoic acid SMILES: C1=CSC=C1C=CC(=O)O
| PubChem CID | 735793 |
|---|---|
| CAS | 102696-71-9 |
| Molecular Weight (g/mol) | 154.183 |
| MDL Number | MFCD00014535 |
| SMILES | C1=CSC=C1C=CC(=O)O |
| Synonym | 3-3-thienyl acrylic acid,3-thien-3-ylacrylic acid,3-thiophen-3-yl acrylic acid,trans-3-3-thienyl acrylic acid,2e-3-thiophen-3-yl prop-2-enoic acid,e-3-thiophen-3-yl acrylic acid,3-thiophen-3-yl prop-2-enoic acid,trans-3-3-thienyl acrylic,2-propenoic acid, 3-3-thienyl-, 2e,2e-3-3-thienyl prop-2-enoic acid |
| IUPAC Name | (E)-3-thiophen-3-ylprop-2-enoic acid |
| InChI Key | VYRYYUKILKRGDN-OWOJBTEDSA-N |
| Molecular Formula | C7H6O2S |