Organoheterocyclic compounds
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5-Chloropyrazine-2-carboxylic acid, 95%, Thermo Scientific Chemicals
CAS: 36070-80-1 Molecular Formula: C5H3ClN2O2 Molecular Weight (g/mol): 158.541 MDL Number: MFCD09033269 InChI Key: FXJOTWLLDJYKAG-UHFFFAOYSA-N Synonym: 5-chloro-2-pyrazinecarboxylic acid,5-chloro-pyrazine-2-carboxylic acid,5-chloropyrazinoic acid,pyrazinecarboxylic acid, 5-chloro,5-chlopopyrazine-2-carboxylic acid,2-pyrazinecarboxylic acid, 5-chloro,2-carboxy-5-chloropyrazine,5-chloro-pyrazine-2-carboxylicacid,2-carboxy-5-chloro-pyrazine,ksc222q7d PubChem CID: 465472 IUPAC Name: 5-chloropyrazine-2-carboxylic acid SMILES: C1=C(N=CC(=N1)Cl)C(=O)O
| PubChem CID | 465472 |
|---|---|
| CAS | 36070-80-1 |
| Molecular Weight (g/mol) | 158.541 |
| MDL Number | MFCD09033269 |
| SMILES | C1=C(N=CC(=N1)Cl)C(=O)O |
| Synonym | 5-chloro-2-pyrazinecarboxylic acid,5-chloro-pyrazine-2-carboxylic acid,5-chloropyrazinoic acid,pyrazinecarboxylic acid, 5-chloro,5-chlopopyrazine-2-carboxylic acid,2-pyrazinecarboxylic acid, 5-chloro,2-carboxy-5-chloropyrazine,5-chloro-pyrazine-2-carboxylicacid,2-carboxy-5-chloro-pyrazine,ksc222q7d |
| IUPAC Name | 5-chloropyrazine-2-carboxylic acid |
| InChI Key | FXJOTWLLDJYKAG-UHFFFAOYSA-N |
| Molecular Formula | C5H3ClN2O2 |
Methyl 1H-indazole-6-carboxylate, 95%, Thermo Scientific™
CAS: 170487-40-8 Molecular Formula: C9H8N2O2 Molecular Weight (g/mol): 176.175 MDL Number: MFCD07371612 InChI Key: TUSICEWIXLMXEY-UHFFFAOYSA-N Synonym: 1h-indazole-6-carboxylic acid methyl ester,methyl indazole-6-carboxylate,indazole-6-carboxylic acid methyl ester,6-1h indazole carboxylic acid methyl ester,1h-indazole-6-carboxylic acid, methyl ester,pubchem18064,methyl indazole-6carboxylate,ksc494o4p,methyl-1h-indazole-6-carboxylate,2h-indazole-6-carboxylic acid methyl ester PubChem CID: 286535 IUPAC Name: methyl 1H-indazole-6-carboxylate SMILES: COC(=O)C1=CC2=C(C=C1)C=NN2
| PubChem CID | 286535 |
|---|---|
| CAS | 170487-40-8 |
| Molecular Weight (g/mol) | 176.175 |
| MDL Number | MFCD07371612 |
| SMILES | COC(=O)C1=CC2=C(C=C1)C=NN2 |
| Synonym | 1h-indazole-6-carboxylic acid methyl ester,methyl indazole-6-carboxylate,indazole-6-carboxylic acid methyl ester,6-1h indazole carboxylic acid methyl ester,1h-indazole-6-carboxylic acid, methyl ester,pubchem18064,methyl indazole-6carboxylate,ksc494o4p,methyl-1h-indazole-6-carboxylate,2h-indazole-6-carboxylic acid methyl ester |
| IUPAC Name | methyl 1H-indazole-6-carboxylate |
| InChI Key | TUSICEWIXLMXEY-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O2 |
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 |
3-Cyanopyridazine, 97%
CAS: 53896-49-4 Molecular Formula: C5H3N3 Molecular Weight (g/mol): 105.1 MDL Number: MFCD09881239 InChI Key: PJESVVYWPFAJCS-UHFFFAOYSA-N Synonym: 3-cyanopyridazine,3-pyridazinecarbonitrile,3-cyano-1,2-diazine,pyridazine-3-carbonitrile PubChem CID: 13642940 IUPAC Name: pyridazine-3-carbonitrile SMILES: C1=CC(=NN=C1)C#N
| PubChem CID | 13642940 |
|---|---|
| CAS | 53896-49-4 |
| Molecular Weight (g/mol) | 105.1 |
| MDL Number | MFCD09881239 |
| SMILES | C1=CC(=NN=C1)C#N |
| Synonym | 3-cyanopyridazine,3-pyridazinecarbonitrile,3-cyano-1,2-diazine,pyridazine-3-carbonitrile |
| IUPAC Name | pyridazine-3-carbonitrile |
| InChI Key | PJESVVYWPFAJCS-UHFFFAOYSA-N |
| Molecular Formula | C5H3N3 |
1-Methylisoquinoline, 97%
CAS: 1721-93-3 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.189 MDL Number: MFCD00006902 InChI Key: PBYMYAJONQZORL-UHFFFAOYSA-N Synonym: isoquinaldine,isoquinoline, 1-methyl,1-methyl-isoquinoline,unii-z96hox9rt9,isoquinoline, methyl,z96hox9rt9,methylisoquinoline,isoquinoline-3-carboxylicacid,1-methyl isoquinoline,pubchem17034 PubChem CID: 15592 IUPAC Name: 1-methylisoquinoline SMILES: CC1=NC=CC2=CC=CC=C12
| PubChem CID | 15592 |
|---|---|
| CAS | 1721-93-3 |
| Molecular Weight (g/mol) | 143.189 |
| MDL Number | MFCD00006902 |
| SMILES | CC1=NC=CC2=CC=CC=C12 |
| Synonym | isoquinaldine,isoquinoline, 1-methyl,1-methyl-isoquinoline,unii-z96hox9rt9,isoquinoline, methyl,z96hox9rt9,methylisoquinoline,isoquinoline-3-carboxylicacid,1-methyl isoquinoline,pubchem17034 |
| IUPAC Name | 1-methylisoquinoline |
| InChI Key | PBYMYAJONQZORL-UHFFFAOYSA-N |
| Molecular Formula | C10H9N |
1-n-Butyl-3-methylimidazolium bromide, 99%
CAS: 85100-77-2 Molecular Formula: C8H15BrN2 Molecular Weight (g/mol): 219.126 MDL Number: MFCD03427611 InChI Key: KYCQOKLOSUBEJK-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide PubChem CID: 2734236 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;bromide SMILES: CCCCN1C=C[N+](=C1)C.[Br-]
| PubChem CID | 2734236 |
|---|---|
| CAS | 85100-77-2 |
| Molecular Weight (g/mol) | 219.126 |
| MDL Number | MFCD03427611 |
| SMILES | CCCCN1C=C[N+](=C1)C.[Br-] |
| Synonym | 1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide |
| IUPAC Name | 1-butyl-3-methylimidazol-3-ium;bromide |
| InChI Key | KYCQOKLOSUBEJK-UHFFFAOYSA-M |
| Molecular Formula | C8H15BrN2 |
6-Chloro-4-hydroxy-2-methylpyrimidine, 97%
CAS: 17551-52-9 Molecular Formula: C5H5ClN2O Molecular Weight (g/mol): 144.558 MDL Number: MFCD00030773 InChI Key: QNANRGHPXMUJQC-UHFFFAOYSA-N Synonym: 6-chloro-2-methyl-4-pyrimidinol,6-chloro-2-methylpyrimidin-4-ol,6-chloro-2-methylpyrimidin-4 1h-one,4 1h-pyrimidinone, 6-chloro-2-methyl,chloromethylpyrimidinol,4 3h-pyrimidinone, 6-chloro-2-methyl,4-pyrimidinol, 6-chloro-2-methyl,6-chloro-2-methyl-4 3h-pyrimidone,2-methyl-4-hydroxy-6-chloropyrimidine,4-chloro-6-hydroxy-2-methylpyrimidine PubChem CID: 295975 IUPAC Name: 6-chloro-2-methyl-1H-pyrimidin-4-one SMILES: CC1=NC(=O)C=C(N1)Cl
| PubChem CID | 295975 |
|---|---|
| CAS | 17551-52-9 |
| Molecular Weight (g/mol) | 144.558 |
| MDL Number | MFCD00030773 |
| SMILES | CC1=NC(=O)C=C(N1)Cl |
| Synonym | 6-chloro-2-methyl-4-pyrimidinol,6-chloro-2-methylpyrimidin-4-ol,6-chloro-2-methylpyrimidin-4 1h-one,4 1h-pyrimidinone, 6-chloro-2-methyl,chloromethylpyrimidinol,4 3h-pyrimidinone, 6-chloro-2-methyl,4-pyrimidinol, 6-chloro-2-methyl,6-chloro-2-methyl-4 3h-pyrimidone,2-methyl-4-hydroxy-6-chloropyrimidine,4-chloro-6-hydroxy-2-methylpyrimidine |
| IUPAC Name | 6-chloro-2-methyl-1H-pyrimidin-4-one |
| InChI Key | QNANRGHPXMUJQC-UHFFFAOYSA-N |
| Molecular Formula | C5H5ClN2O |
4-Chloro-5-(2-thienyl)thieno[2,3-d]pyrimidine, 97%
CAS: 189681-04-7 Molecular Formula: C10H5ClN2S2 Molecular Weight (g/mol): 252.73 MDL Number: MFCD00174019 InChI Key: VNWBUFWVNCUUKY-UHFFFAOYSA-N Synonym: 4-chloro-5-2-thienyl thieno 2,3-d pyrimidine,4-chloro-5-thiophen-2-yl thieno 2,3-d pyrimidine,thieno 2,3-d pyrimidine,4-chloro-5-2-thienyl,4-chloro-5-2-thienyl thiopheno 2,3-d pyrimidine,4-chloro-5-thiophen-2-ylthieno 2,3-d pyrimidine PubChem CID: 735732 IUPAC Name: 4-chloro-5-thiophen-2-ylthieno[2,3-d]pyrimidine SMILES: ClC1=C2C(SC=C2C2=CC=CS2)=NC=N1
| PubChem CID | 735732 |
|---|---|
| CAS | 189681-04-7 |
| Molecular Weight (g/mol) | 252.73 |
| MDL Number | MFCD00174019 |
| SMILES | ClC1=C2C(SC=C2C2=CC=CS2)=NC=N1 |
| Synonym | 4-chloro-5-2-thienyl thieno 2,3-d pyrimidine,4-chloro-5-thiophen-2-yl thieno 2,3-d pyrimidine,thieno 2,3-d pyrimidine,4-chloro-5-2-thienyl,4-chloro-5-2-thienyl thiopheno 2,3-d pyrimidine,4-chloro-5-thiophen-2-ylthieno 2,3-d pyrimidine |
| IUPAC Name | 4-chloro-5-thiophen-2-ylthieno[2,3-d]pyrimidine |
| InChI Key | VNWBUFWVNCUUKY-UHFFFAOYSA-N |
| Molecular Formula | C10H5ClN2S2 |
(R)-(-)-1-Boc-3-(hydroxymethyl)piperidine, 97%
CAS: 140695-85-8 Molecular Formula: C11H21NO3 Molecular Weight (g/mol): 215.293 MDL Number: MFCD02683202 InChI Key: OJCLHERKFHHUTB-SECBINFHSA-N Synonym: r-1-boc-3-hydroxymethyl piperidine,r-tert-butyl 3-hydroxymethyl piperidine-1-carboxylate,r-1-boc-3-hyroxymethyl piperidine,tert-butyl 3r-3-hydroxymethyl piperidine-1-carboxylate,r-n-boc-3-hydroxymethyl piperidine,r-n-boc-3-piperidinemethanol,r-1-n-boc-3-hydroxymethyl piperidine,r-1-n-boc-3-hydroxymethyl-piperidine,r---1-boc-3-hydroxymethyl piperidine PubChem CID: 1514447 IUPAC Name: tert-butyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCCC(C1)CO
| PubChem CID | 1514447 |
|---|---|
| CAS | 140695-85-8 |
| Molecular Weight (g/mol) | 215.293 |
| MDL Number | MFCD02683202 |
| SMILES | CC(C)(C)OC(=O)N1CCCC(C1)CO |
| Synonym | r-1-boc-3-hydroxymethyl piperidine,r-tert-butyl 3-hydroxymethyl piperidine-1-carboxylate,r-1-boc-3-hyroxymethyl piperidine,tert-butyl 3r-3-hydroxymethyl piperidine-1-carboxylate,r-n-boc-3-hydroxymethyl piperidine,r-n-boc-3-piperidinemethanol,r-1-n-boc-3-hydroxymethyl piperidine,r-1-n-boc-3-hydroxymethyl-piperidine,r---1-boc-3-hydroxymethyl piperidine |
| IUPAC Name | tert-butyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate |
| InChI Key | OJCLHERKFHHUTB-SECBINFHSA-N |
| Molecular Formula | C11H21NO3 |
2,2,4-Trimethyl-1,3-dioxolane, 99%
CAS: 1193-11-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00090841 InChI Key: ALTFLAPROMVXNX-UHFFFAOYNA-N PubChem CID: 62384 IUPAC Name: 2,2,4-trimethyl-1,3-dioxolane SMILES: CC1COC(C)(C)O1
| PubChem CID | 62384 |
|---|---|
| CAS | 1193-11-9 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00090841 |
| SMILES | CC1COC(C)(C)O1 |
| IUPAC Name | 2,2,4-trimethyl-1,3-dioxolane |
| InChI Key | ALTFLAPROMVXNX-UHFFFAOYNA-N |
| Molecular Formula | C6H12O2 |
3-Methylphthalic anhydride, 96%, Thermo Scientific Chemicals
CAS: 4792-30-7 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00047316 InChI Key: TWWAWPHAOPTQEU-UHFFFAOYSA-N Synonym: 3-methylphthalic anhydride,4-methylisobenzofuran-1,3-dione,1,3-isobenzofurandione, 4-methyl,3-methyl phthalic anhydride,methylphthalic anhydride,phthalic anhydride, 3-methyl,2,3-toluenedicarboxylic anhydride,1,3-isobenzofurandione, methyl,4-methyl-1,3-dihydro-2-benzofuran-1,3-dione,acmc-1arrb PubChem CID: 98500 IUPAC Name: 4-methyl-2-benzofuran-1,3-dione SMILES: CC1=CC=CC2=C1C(=O)OC2=O
| PubChem CID | 98500 |
|---|---|
| CAS | 4792-30-7 |
| Molecular Weight (g/mol) | 162.14 |
| MDL Number | MFCD00047316 |
| SMILES | CC1=CC=CC2=C1C(=O)OC2=O |
| Synonym | 3-methylphthalic anhydride,4-methylisobenzofuran-1,3-dione,1,3-isobenzofurandione, 4-methyl,3-methyl phthalic anhydride,methylphthalic anhydride,phthalic anhydride, 3-methyl,2,3-toluenedicarboxylic anhydride,1,3-isobenzofurandione, methyl,4-methyl-1,3-dihydro-2-benzofuran-1,3-dione,acmc-1arrb |
| IUPAC Name | 4-methyl-2-benzofuran-1,3-dione |
| InChI Key | TWWAWPHAOPTQEU-UHFFFAOYSA-N |
| Molecular Formula | C9H6O3 |
1-Methylbenzimidazole, 97%
CAS: 1632-83-3 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.17 MDL Number: MFCD00192275 InChI Key: FGYADSCZTQOAFK-UHFFFAOYSA-N Synonym: 1-methyl-1h-benzimidazole,1h-benzimidazole, 1-methyl,methylbenzimidazole,unii-12lw89n19y,1-methyl-1h-benzo d imidazole,1h-benzimidazole, methyl,1-methyl-1,3-benzodiazole,1-methyl-1h-1,3-benzodiazole,pubchem7613,1-methylbenzimidazole PubChem CID: 95890 IUPAC Name: 1-methylbenzimidazole SMILES: CN1C=NC2=CC=CC=C12
| PubChem CID | 95890 |
|---|---|
| CAS | 1632-83-3 |
| Molecular Weight (g/mol) | 132.17 |
| MDL Number | MFCD00192275 |
| SMILES | CN1C=NC2=CC=CC=C12 |
| Synonym | 1-methyl-1h-benzimidazole,1h-benzimidazole, 1-methyl,methylbenzimidazole,unii-12lw89n19y,1-methyl-1h-benzo d imidazole,1h-benzimidazole, methyl,1-methyl-1,3-benzodiazole,1-methyl-1h-1,3-benzodiazole,pubchem7613,1-methylbenzimidazole |
| IUPAC Name | 1-methylbenzimidazole |
| InChI Key | FGYADSCZTQOAFK-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2 |
3-Methylthiophene, 98+%
CAS: 616-44-4 Molecular Formula: C5H6S Molecular Weight (g/mol): 98.163 MDL Number: MFCD00005470 InChI Key: QENGPZGAWFQWCZ-UHFFFAOYSA-N Synonym: thiophene, 3-methyl,3-thiotolene,beta-methylthiophene,poly,p3mt,3-methyl thiophene,3-methyl-thiophene,methyl-3-thiophene,ccris 2937,thiophene, 3-methyl-, homopolymer PubChem CID: 12024 IUPAC Name: 3-methylthiophene SMILES: CC1=CSC=C1
| PubChem CID | 12024 |
|---|---|
| CAS | 616-44-4 |
| Molecular Weight (g/mol) | 98.163 |
| MDL Number | MFCD00005470 |
| SMILES | CC1=CSC=C1 |
| Synonym | thiophene, 3-methyl,3-thiotolene,beta-methylthiophene,poly,p3mt,3-methyl thiophene,3-methyl-thiophene,methyl-3-thiophene,ccris 2937,thiophene, 3-methyl-, homopolymer |
| IUPAC Name | 3-methylthiophene |
| InChI Key | QENGPZGAWFQWCZ-UHFFFAOYSA-N |
| Molecular Formula | C5H6S |
5-Methyl-4-isoxazolecarbonyl chloride, 97%, Thermo Scientific™
CAS: 67305-24-2 Molecular Formula: C5H4ClNO2 Molecular Weight (g/mol): 145.542 InChI Key: ZKAQPVQEYCFRTK-UHFFFAOYSA-N Synonym: 5-methyl-4-isoxazolecarbonyl chloride,5-methylisoxazole-4-carbonyl chloride,5-methyl-4-isoxazolecarbonylchloride,4-isoxazolecarbonyl chloride, 5-methyl,4-isoxazolecarbonylchloride, 5-methyl,5-methyl-isoxazole-4-carbonyl chloride,acmc-209nyg,methyl-4-isoxazolecarbonyl chloride,4-isoxazolecarbonylchloride,5-methyl PubChem CID: 2759917 IUPAC Name: 5-methyl-1,2-oxazole-4-carbonyl chloride SMILES: CC1=C(C=NO1)C(=O)Cl
| PubChem CID | 2759917 |
|---|---|
| CAS | 67305-24-2 |
| Molecular Weight (g/mol) | 145.542 |
| SMILES | CC1=C(C=NO1)C(=O)Cl |
| Synonym | 5-methyl-4-isoxazolecarbonyl chloride,5-methylisoxazole-4-carbonyl chloride,5-methyl-4-isoxazolecarbonylchloride,4-isoxazolecarbonyl chloride, 5-methyl,4-isoxazolecarbonylchloride, 5-methyl,5-methyl-isoxazole-4-carbonyl chloride,acmc-209nyg,methyl-4-isoxazolecarbonyl chloride,4-isoxazolecarbonylchloride,5-methyl |
| IUPAC Name | 5-methyl-1,2-oxazole-4-carbonyl chloride |
| InChI Key | ZKAQPVQEYCFRTK-UHFFFAOYSA-N |
| Molecular Formula | C5H4ClNO2 |
tetrahydro-2h-pyran-4-ylmethanol, 97%, Thermo Scientific™
CAS: 14774-37-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00457804 InChI Key: YSNVSVCWTBLLRW-UHFFFAOYSA-N Synonym: tetrahydropyran-4-methanol,tetrahydro-2h-pyran-4-yl methanol,4-hydroxymethyl tetrahydropyran,oxan-4-yl methanol,tetrahydro-pyran-4-yl-methanol,tetrahydro-2h-pyran-4-ylmethanol,2h-pyran-4-methanol, tetrahydro,4-hydroxymethyltetrahydropyran,oxan-4-yl-methanol PubChem CID: 2773573 SMILES: OCC1CCOCC1
| PubChem CID | 2773573 |
|---|---|
| CAS | 14774-37-9 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00457804 |
| SMILES | OCC1CCOCC1 |
| Synonym | tetrahydropyran-4-methanol,tetrahydro-2h-pyran-4-yl methanol,4-hydroxymethyl tetrahydropyran,oxan-4-yl methanol,tetrahydro-pyran-4-yl-methanol,tetrahydro-2h-pyran-4-ylmethanol,2h-pyran-4-methanol, tetrahydro,4-hydroxymethyltetrahydropyran,oxan-4-yl-methanol |
| InChI Key | YSNVSVCWTBLLRW-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |