Organoheterocyclic compounds
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2,3-Dicyanopyrazine, Thermo Scientific Chemicals
CAS: 13481-25-9 Molecular Formula: C6H2N4 Molecular Weight (g/mol): 130.11 InChI Key: OTVZGAXESBAAQQ-UHFFFAOYSA-N IUPAC Name: pyrazine-2,3-dicarbonitrile SMILES: N#CC1=NC=CN=C1C#N
| CAS | 13481-25-9 |
|---|---|
| Molecular Weight (g/mol) | 130.11 |
| SMILES | N#CC1=NC=CN=C1C#N |
| IUPAC Name | pyrazine-2,3-dicarbonitrile |
| InChI Key | OTVZGAXESBAAQQ-UHFFFAOYSA-N |
| Molecular Formula | C6H2N4 |
6-Methyl-2-pyridinemethanol, 98%
CAS: 1122-71-0 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.16 MDL Number: MFCD00023520 InChI Key: JLVBSBMJQUMAMW-UHFFFAOYSA-N Synonym: 6-methyl-2-pyridinemethanol,6-methylpyridin-2-yl methanol,2-pyridinemethanol, 6-methyl,6-methyl-2-pyridylmethanol,6-methylpyridine-2-methanol,2-hydroxymethyl-6-methylpyridine,6-methyl-2-pyridyl methan-1-ol,pubchem20959,acmc-2099dw,6-methyl-2-pyridylcarbinol PubChem CID: 70736 IUPAC Name: (6-methylpyridin-2-yl)methanol SMILES: CC1=CC=CC(CO)=N1
| PubChem CID | 70736 |
|---|---|
| CAS | 1122-71-0 |
| Molecular Weight (g/mol) | 123.16 |
| MDL Number | MFCD00023520 |
| SMILES | CC1=CC=CC(CO)=N1 |
| Synonym | 6-methyl-2-pyridinemethanol,6-methylpyridin-2-yl methanol,2-pyridinemethanol, 6-methyl,6-methyl-2-pyridylmethanol,6-methylpyridine-2-methanol,2-hydroxymethyl-6-methylpyridine,6-methyl-2-pyridyl methan-1-ol,pubchem20959,acmc-2099dw,6-methyl-2-pyridylcarbinol |
| IUPAC Name | (6-methylpyridin-2-yl)methanol |
| InChI Key | JLVBSBMJQUMAMW-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
4-Chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine, 96%
CAS: 331761-46-7 Molecular Formula: C12H6Cl2N2S Molecular Weight (g/mol): 281.154 MDL Number: MFCD01038375 InChI Key: QDMQHIKVIOWCGY-UHFFFAOYSA-N Synonym: 4-chloro-5-4-chlorophenyl thieno 2,3-d pyrimidine,4-chloro-5-4-chloro-phenyl-thieno 2,3-d pyrimidine,thieno 2,3-d pyrimidine,4-chloro-5-4-chlorophenyl,4-chloro-5-4-chlorophenyl thiopheno 2,3-d pyrimidine,4-chloranyl-5-4-chlorophenyl thieno 2,3-d pyrimidine PubChem CID: 708755 IUPAC Name: 4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine SMILES: C1=CC(=CC=C1C2=CSC3=C2C(=NC=N3)Cl)Cl
| PubChem CID | 708755 |
|---|---|
| CAS | 331761-46-7 |
| Molecular Weight (g/mol) | 281.154 |
| MDL Number | MFCD01038375 |
| SMILES | C1=CC(=CC=C1C2=CSC3=C2C(=NC=N3)Cl)Cl |
| Synonym | 4-chloro-5-4-chlorophenyl thieno 2,3-d pyrimidine,4-chloro-5-4-chloro-phenyl-thieno 2,3-d pyrimidine,thieno 2,3-d pyrimidine,4-chloro-5-4-chlorophenyl,4-chloro-5-4-chlorophenyl thiopheno 2,3-d pyrimidine,4-chloranyl-5-4-chlorophenyl thieno 2,3-d pyrimidine |
| IUPAC Name | 4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine |
| InChI Key | QDMQHIKVIOWCGY-UHFFFAOYSA-N |
| Molecular Formula | C12H6Cl2N2S |
1,4'-Bipiperidine, 99%
CAS: 4897-50-1 Molecular Formula: C10H20N2 Molecular Weight (g/mol): 168.284 MDL Number: MFCD00006475 InChI Key: QDVBKXJMLILLLB-UHFFFAOYSA-N Synonym: 4-piperidinopiperidine,1,4'-bipiperidine,4-piperidino-piperidine,1,4'-bipiperidyl,4-1-piperidinyl piperidine,1,4' bipiperidinyl,4-piperidin-1-yl piperidine,1,4-bipiperidine,1-piperidin-4-yl piperidine,4-piperidin-1-ylpiperidine PubChem CID: 78607 ChEBI: CHEBI:40117 IUPAC Name: 1-piperidin-4-ylpiperidine SMILES: C1CCN(CC1)C2CCNCC2
| PubChem CID | 78607 |
|---|---|
| CAS | 4897-50-1 |
| Molecular Weight (g/mol) | 168.284 |
| ChEBI | CHEBI:40117 |
| MDL Number | MFCD00006475 |
| SMILES | C1CCN(CC1)C2CCNCC2 |
| Synonym | 4-piperidinopiperidine,1,4'-bipiperidine,4-piperidino-piperidine,1,4'-bipiperidyl,4-1-piperidinyl piperidine,1,4' bipiperidinyl,4-piperidin-1-yl piperidine,1,4-bipiperidine,1-piperidin-4-yl piperidine,4-piperidin-1-ylpiperidine |
| IUPAC Name | 1-piperidin-4-ylpiperidine |
| InChI Key | QDVBKXJMLILLLB-UHFFFAOYSA-N |
| Molecular Formula | C10H20N2 |
2-Aminopurine, 98%
CAS: 452-06-2 Molecular Formula: C5H5N5 Molecular Weight (g/mol): 135.13 MDL Number: MFCD00005566 InChI Key: MWBWWFOAEOYUST-UHFFFAOYSA-N Synonym: 2-aminopurine,1h-purin-2-amine,9h-purin-2-amine,purine, 2-amino,aminopurine,2-amino purine,2'-amino-purine,unii-o14b3u97fw,ccris 759,9h-purin-2-ylamine PubChem CID: 9955 ChEBI: CHEBI:479072 IUPAC Name: 7H-purin-2-amine SMILES: NC1=NC=C2NC=NC2=N1
| PubChem CID | 9955 |
|---|---|
| CAS | 452-06-2 |
| Molecular Weight (g/mol) | 135.13 |
| ChEBI | CHEBI:479072 |
| MDL Number | MFCD00005566 |
| SMILES | NC1=NC=C2NC=NC2=N1 |
| Synonym | 2-aminopurine,1h-purin-2-amine,9h-purin-2-amine,purine, 2-amino,aminopurine,2-amino purine,2'-amino-purine,unii-o14b3u97fw,ccris 759,9h-purin-2-ylamine |
| IUPAC Name | 7H-purin-2-amine |
| InChI Key | MWBWWFOAEOYUST-UHFFFAOYSA-N |
| Molecular Formula | C5H5N5 |
Tazobactam sodium
CAS: 89785-84-2 Molecular Formula: C10H12N4NaO5S Molecular Weight (g/mol): 323.279 MDL Number: MFCD00917472 InChI Key: ZUNWFYFXHGWFRA-QVUDESDKSA-N Synonym: tazobactam sodium salt PubChem CID: 66636300 IUPAC Name: (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;sodium SMILES: CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3.[Na]
| PubChem CID | 66636300 |
|---|---|
| CAS | 89785-84-2 |
| Molecular Weight (g/mol) | 323.279 |
| MDL Number | MFCD00917472 |
| SMILES | CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3.[Na] |
| Synonym | tazobactam sodium salt |
| IUPAC Name | (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;sodium |
| InChI Key | ZUNWFYFXHGWFRA-QVUDESDKSA-N |
| Molecular Formula | C10H12N4NaO5S |
Methyl 1-methyl-1H-imidazole-4-carboxylate, 97%, Thermo Scientific™
CAS: 17289-19-9 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.142 MDL Number: MFCD02179561 InChI Key: KZPZTVKOJSKVBV-UHFFFAOYSA-N Synonym: methyl 1-methyl-1h-imidazole-4-carboxylate,1-methyl-1h-imidazole-4-carboxylic acid methyl ester,1h-imidazole-4-carboxylic acid, 1-methyl-, methyl ester,pubchem9002,acmc-209e5g,methyl1-methyl-1h-imidazole-4-carboxylate,ksc534i0d,methyl 1-methylimidazol-4-carboxylate,methyl 1-methyl-1h-imidazole-carboxylate,4-methoxycarbonyl-1-methyl-1h-imidazole PubChem CID: 2773510 IUPAC Name: methyl 1-methylimidazole-4-carboxylate SMILES: CN1C=C(N=C1)C(=O)OC
| PubChem CID | 2773510 |
|---|---|
| CAS | 17289-19-9 |
| Molecular Weight (g/mol) | 140.142 |
| MDL Number | MFCD02179561 |
| SMILES | CN1C=C(N=C1)C(=O)OC |
| Synonym | methyl 1-methyl-1h-imidazole-4-carboxylate,1-methyl-1h-imidazole-4-carboxylic acid methyl ester,1h-imidazole-4-carboxylic acid, 1-methyl-, methyl ester,pubchem9002,acmc-209e5g,methyl1-methyl-1h-imidazole-4-carboxylate,ksc534i0d,methyl 1-methylimidazol-4-carboxylate,methyl 1-methyl-1h-imidazole-carboxylate,4-methoxycarbonyl-1-methyl-1h-imidazole |
| IUPAC Name | methyl 1-methylimidazole-4-carboxylate |
| InChI Key | KZPZTVKOJSKVBV-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
5-Bromo-2,3-difluoropyridine, 97%
CAS: 89402-44-8 Molecular Formula: C5H2BrF2N Molecular Weight (g/mol): 193.98 MDL Number: MFCD06659525 InChI Key: QVIQXJRQVOPYGI-UHFFFAOYSA-N PubChem CID: 14549654 IUPAC Name: 5-bromo-2,3-difluoropyridine SMILES: FC1=CC(Br)=CN=C1F
| PubChem CID | 14549654 |
|---|---|
| CAS | 89402-44-8 |
| Molecular Weight (g/mol) | 193.98 |
| MDL Number | MFCD06659525 |
| SMILES | FC1=CC(Br)=CN=C1F |
| IUPAC Name | 5-bromo-2,3-difluoropyridine |
| InChI Key | QVIQXJRQVOPYGI-UHFFFAOYSA-N |
| Molecular Formula | C5H2BrF2N |
3-Bromo-6-chloroimidazo[1,2-a]pyridine, 95%, Thermo Scientific Chemicals
CAS: 886371-28-4 Molecular Formula: C7H4BrClN2 Molecular Weight (g/mol): 231.477 MDL Number: MFCD08667858 InChI Key: LIBKDAUSMLPFBF-UHFFFAOYSA-N Synonym: 3-bromo-6-chloroimidazo 1,2-a pyridine,6-chloro-3-bromo-imidazo 1,2-a pyridine,acmc-209qvk,3-bromo-6-chloro-imidazo 1,2-a pyridine,imidazo 1,2-a pyridine, 3-bromo-6-chloro PubChem CID: 45790042 IUPAC Name: 3-bromo-6-chloroimidazo[1,2-a]pyridine SMILES: C1=CC2=NC=C(N2C=C1Cl)Br
| PubChem CID | 45790042 |
|---|---|
| CAS | 886371-28-4 |
| Molecular Weight (g/mol) | 231.477 |
| MDL Number | MFCD08667858 |
| SMILES | C1=CC2=NC=C(N2C=C1Cl)Br |
| Synonym | 3-bromo-6-chloroimidazo 1,2-a pyridine,6-chloro-3-bromo-imidazo 1,2-a pyridine,acmc-209qvk,3-bromo-6-chloro-imidazo 1,2-a pyridine,imidazo 1,2-a pyridine, 3-bromo-6-chloro |
| IUPAC Name | 3-bromo-6-chloroimidazo[1,2-a]pyridine |
| InChI Key | LIBKDAUSMLPFBF-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClN2 |
2-(Methylamino)pyridine, 98%
CAS: 4597-87-9 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00006250 InChI Key: SVEUVITYHIHZQE-UHFFFAOYSA-N Synonym: 2-methylamino pyridine,2-methylaminopyridine,2-pyridinamine, n-methyl,methylamino-2 pyridine,n-2-pyridylmethylamine,pyridine, 2-methylamino,n-methyl-2-pyridinamine,2-pyridinamine, n-methyl-9ci,n-methyl pyridimine PubChem CID: 20727 IUPAC Name: N-methylpyridin-2-amine SMILES: CNC1=CC=CC=N1
| PubChem CID | 20727 |
|---|---|
| CAS | 4597-87-9 |
| Molecular Weight (g/mol) | 108.14 |
| MDL Number | MFCD00006250 |
| SMILES | CNC1=CC=CC=N1 |
| Synonym | 2-methylamino pyridine,2-methylaminopyridine,2-pyridinamine, n-methyl,methylamino-2 pyridine,n-2-pyridylmethylamine,pyridine, 2-methylamino,n-methyl-2-pyridinamine,2-pyridinamine, n-methyl-9ci,n-methyl pyridimine |
| IUPAC Name | N-methylpyridin-2-amine |
| InChI Key | SVEUVITYHIHZQE-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |
1-Ethyl-3-methylimidazolium ethyl sulfate, 99%
CAS: 342573-75-5 Molecular Formula: C8H16N2O4S Molecular Weight (g/mol): 236.286 MDL Number: MFCD06798189 InChI Key: VRFOKYHDLYBVAL-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium ethyl sulfate,1-ethyl-3-methylimidazolium ethylsulfate,1-ethyl-3-methyl-1h-imidazol-3-ium ethyl sulfate,basionics™ lq 01,dsstox_cid_29130,dsstox_rid_83349,dsstox_gsid_49274,ksc221o0f,1h-imidazolium, 3-ethyl-1-methyl-, ethyl sulfate 1:1,1-ethyl-3-me-thylimidazolium ethylsulfate PubChem CID: 12095229 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;ethyl sulfate SMILES: CCN1C=C[N+](=C1)C.CCOS(=O)(=O)[O-]
| PubChem CID | 12095229 |
|---|---|
| CAS | 342573-75-5 |
| Molecular Weight (g/mol) | 236.286 |
| MDL Number | MFCD06798189 |
| SMILES | CCN1C=C[N+](=C1)C.CCOS(=O)(=O)[O-] |
| Synonym | 1-ethyl-3-methylimidazolium ethyl sulfate,1-ethyl-3-methylimidazolium ethylsulfate,1-ethyl-3-methyl-1h-imidazol-3-ium ethyl sulfate,basionics™ lq 01,dsstox_cid_29130,dsstox_rid_83349,dsstox_gsid_49274,ksc221o0f,1h-imidazolium, 3-ethyl-1-methyl-, ethyl sulfate 1:1,1-ethyl-3-me-thylimidazolium ethylsulfate |
| IUPAC Name | 1-ethyl-3-methylimidazol-3-ium;ethyl sulfate |
| InChI Key | VRFOKYHDLYBVAL-UHFFFAOYSA-M |
| Molecular Formula | C8H16N2O4S |
3-n-Dodecylthiophene, 97%
CAS: 104934-52-3 Molecular Formula: C16H28S Molecular Weight (g/mol): 252.46 MDL Number: MFCD00130121,MFCD31699966 InChI Key: RFKWIEFTBMACPZ-UHFFFAOYSA-N Synonym: 3-laurylthiophene,thiophene, 3-dodecyl,poly,3-n-dodecylthiophene,3-dodecyl thiophene,1-thien-3-yl dodecane,acmc-1boc7,3-dodecylthiophene,ksc174a5h,bidd:gt0253 PubChem CID: 2733655 IUPAC Name: 3-dodecylthiophene SMILES: CCCCCCCCCCCCC1=CSC=C1
| PubChem CID | 2733655 |
|---|---|
| CAS | 104934-52-3 |
| Molecular Weight (g/mol) | 252.46 |
| MDL Number | MFCD00130121,MFCD31699966 |
| SMILES | CCCCCCCCCCCCC1=CSC=C1 |
| Synonym | 3-laurylthiophene,thiophene, 3-dodecyl,poly,3-n-dodecylthiophene,3-dodecyl thiophene,1-thien-3-yl dodecane,acmc-1boc7,3-dodecylthiophene,ksc174a5h,bidd:gt0253 |
| IUPAC Name | 3-dodecylthiophene |
| InChI Key | RFKWIEFTBMACPZ-UHFFFAOYSA-N |
| Molecular Formula | C16H28S |
N-Methyl(5-phenylpyrid-2-yl)methylamine 97%, Thermo Scientific™
CAS: 892502-02-2 Molecular Formula: C13H14N2 Molecular Weight (g/mol): 198.269 MDL Number: MFCD10700051 InChI Key: HHOWXRCPAWWJPH-UHFFFAOYSA-N Synonym: n-methyl 5-phenylpyrid-2-yl methylamine,methyl 5-phenylpyridin-2-yl methyl amine,2-methyl aminomethyl-5-phenylpyridine,2-pyridinemethanamine,n-methyl-5-phenyl,methyl 5-phenyl 2-pyridyl methyl amine,n-methyl-5-phenylpyridin-2-yl methylamine,n-methyl-1-5-phenylpyridin-2-yl methanamine PubChem CID: 26343606 IUPAC Name: N-methyl-1-(5-phenylpyridin-2-yl)methanamine SMILES: CNCC1=NC=C(C=C1)C2=CC=CC=C2
| PubChem CID | 26343606 |
|---|---|
| CAS | 892502-02-2 |
| Molecular Weight (g/mol) | 198.269 |
| MDL Number | MFCD10700051 |
| SMILES | CNCC1=NC=C(C=C1)C2=CC=CC=C2 |
| Synonym | n-methyl 5-phenylpyrid-2-yl methylamine,methyl 5-phenylpyridin-2-yl methyl amine,2-methyl aminomethyl-5-phenylpyridine,2-pyridinemethanamine,n-methyl-5-phenyl,methyl 5-phenyl 2-pyridyl methyl amine,n-methyl-5-phenylpyridin-2-yl methylamine,n-methyl-1-5-phenylpyridin-2-yl methanamine |
| IUPAC Name | N-methyl-1-(5-phenylpyridin-2-yl)methanamine |
| InChI Key | HHOWXRCPAWWJPH-UHFFFAOYSA-N |
| Molecular Formula | C13H14N2 |
[5-(2-Furyl)isoxazol-3-yl]methanol, ≥97%, Thermo Scientific™
CAS: 852180-63-3 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.148 MDL Number: MFCD07772820 InChI Key: NBBDGNIUCJFJPO-UHFFFAOYSA-N Synonym: 5-2-furyl isoxazol-3-yl methanol,5-furan-2-yl-1,2-oxazol-3-yl methanol,5-furan-2-yl isoxazol-3-yl methanol,5-2-furyl isoxazol-3-yl methan-1-ol,5-2-furanyl-3-isoxazolylmethanol,5-2-furyl-3-isoxazolyl methanol,5-furan-2-yl-isoxazol-3-yl-methanol PubChem CID: 7164591 IUPAC Name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methanol SMILES: C1=COC(=C1)C2=CC(=NO2)CO
| PubChem CID | 7164591 |
|---|---|
| CAS | 852180-63-3 |
| Molecular Weight (g/mol) | 165.148 |
| MDL Number | MFCD07772820 |
| SMILES | C1=COC(=C1)C2=CC(=NO2)CO |
| Synonym | 5-2-furyl isoxazol-3-yl methanol,5-furan-2-yl-1,2-oxazol-3-yl methanol,5-furan-2-yl isoxazol-3-yl methanol,5-2-furyl isoxazol-3-yl methan-1-ol,5-2-furanyl-3-isoxazolylmethanol,5-2-furyl-3-isoxazolyl methanol,5-furan-2-yl-isoxazol-3-yl-methanol |
| IUPAC Name | [5-(furan-2-yl)-1,2-oxazol-3-yl]methanol |
| InChI Key | NBBDGNIUCJFJPO-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3 |
Thermo Scientific Chemicals Oxonic acid, potassium salt, 97.5%
CAS: 2207-75-2 Molecular Formula: C4H2KN3O4 Molecular Weight (g/mol): 195.18 MDL Number: MFCD00010565 InChI Key: IAPCTXZQXAVYNG-UHFFFAOYSA-M Synonym: potassium oxonate,oteracil potassium,oxonic acid potassium salt,allantoxanic acid potassium salt,potassium azaorotate,oxonic acid, potassium salt,oxonate, potassium,oxonate,allantoxanic acid PubChem CID: 2723920 ChEBI: CHEBI:80230 IUPAC Name: potassium;4,6-dioxo-1H-1,3,5-triazine-2-carboxylate SMILES: [K+].[O-]C(=O)C1=NC(=O)NC(=O)N1
| PubChem CID | 2723920 |
|---|---|
| CAS | 2207-75-2 |
| Molecular Weight (g/mol) | 195.18 |
| ChEBI | CHEBI:80230 |
| MDL Number | MFCD00010565 |
| SMILES | [K+].[O-]C(=O)C1=NC(=O)NC(=O)N1 |
| Synonym | potassium oxonate,oteracil potassium,oxonic acid potassium salt,allantoxanic acid potassium salt,potassium azaorotate,oxonic acid, potassium salt,oxonate, potassium,oxonate,allantoxanic acid |
| IUPAC Name | potassium;4,6-dioxo-1H-1,3,5-triazine-2-carboxylate |
| InChI Key | IAPCTXZQXAVYNG-UHFFFAOYSA-M |
| Molecular Formula | C4H2KN3O4 |