Azoles
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1-Ethyl-3-methylimidazolium Tricyanomethanide 98.0+%, TCI America™
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CAS: 666823-18-3 Molecular Formula: C10H11N5
| CAS | 666823-18-3 |
|---|---|
| Molecular Formula | C10H11N5 |
2-Isopropyl-4-(N-methylaminomethyl)thiazole Dihydrochloride 98.0+%, TCI America™
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CAS: 1185167-55-8 Molecular Formula: C8H16Cl2N2S Molecular Weight (g/mol): 243.19 MDL Number: MFCD11841218 InChI Key: GNPOLJYMEXUGCG-UHFFFAOYSA-N PubChem CID: 45595264 IUPAC Name: N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;dihydrochloride SMILES: CC(C)C1=NC(=CS1)CNC.Cl.Cl
| PubChem CID | 45595264 |
|---|---|
| CAS | 1185167-55-8 |
| Molecular Weight (g/mol) | 243.19 |
| MDL Number | MFCD11841218 |
| SMILES | CC(C)C1=NC(=CS1)CNC.Cl.Cl |
| IUPAC Name | N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;dihydrochloride |
| InChI Key | GNPOLJYMEXUGCG-UHFFFAOYSA-N |
| Molecular Formula | C8H16Cl2N2S |
Methyl 3-Hydroxyisoxazole-5-carboxylate 98.0+%, TCI America™
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CAS: 10068-07-2 Molecular Formula: C5H5NO4 Molecular Weight (g/mol): 143.10 MDL Number: MFCD00062870 InChI Key: BBFWUUBQSXVHHZ-UHFFFAOYSA-N Synonym: methyl 3-hydroxyisoxazole-5-carboxylate,methyl 3-hydroxy-5-isoxazolecarboxylate,methyl 3-hydroxy-1,2-oxazole-5-carboxylate,3-hydroxyisoxazole-5-carboxylic acid methyl ester,methyl 3-hydroxyl-5-isoxazolecarboxylate,methyl-3-hydroxy-5-isoxazolecarboxylate,5-isoxazolecarboxylic acid, 2,3-dihydro-3-oxo-, methyl ester,3-hydroxy-isoxazole-5-carboxylic acid methyl ester,methyl 3-oxo-2,3-dihydro-1,2-oxazole-5-carboxylate,methyl 3-oxo-2h-1,2-oxazole-5-carboxylate PubChem CID: 2724585 IUPAC Name: methyl 3-oxo-2,3-dihydro-1,2-oxazole-5-carboxylate SMILES: COC(=O)C1=CC(=O)NO1
| PubChem CID | 2724585 |
|---|---|
| CAS | 10068-07-2 |
| Molecular Weight (g/mol) | 143.10 |
| MDL Number | MFCD00062870 |
| SMILES | COC(=O)C1=CC(=O)NO1 |
| Synonym | methyl 3-hydroxyisoxazole-5-carboxylate,methyl 3-hydroxy-5-isoxazolecarboxylate,methyl 3-hydroxy-1,2-oxazole-5-carboxylate,3-hydroxyisoxazole-5-carboxylic acid methyl ester,methyl 3-hydroxyl-5-isoxazolecarboxylate,methyl-3-hydroxy-5-isoxazolecarboxylate,5-isoxazolecarboxylic acid, 2,3-dihydro-3-oxo-, methyl ester,3-hydroxy-isoxazole-5-carboxylic acid methyl ester,methyl 3-oxo-2,3-dihydro-1,2-oxazole-5-carboxylate,methyl 3-oxo-2h-1,2-oxazole-5-carboxylate |
| IUPAC Name | methyl 3-oxo-2,3-dihydro-1,2-oxazole-5-carboxylate |
| InChI Key | BBFWUUBQSXVHHZ-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO4 |
4-Amino-1,2,4-triazole 98.0+%, TCI America™
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CAS: 584-13-4 Molecular Formula: C2H4N4 Molecular Weight (g/mol): 84.082 MDL Number: MFCD00003099 InChI Key: FMCUPJKTGNBGEC-UHFFFAOYSA-N Synonym: 4-amino-1,2,4-triazole,4-amino-4h-1,2,4-triazole,4h-1,2,4-triazol-4-amine,1-amino-1,3,4-triazole,4h-1,2,4-triazole, 4-amino,1-amino-1h-1,3,4-triazole,4-amino-1,2,4 4h-triazole,4h-1,2,4-triazol-4-ylamine,1-amino-1,4-triazole,4-amino-1,4-triazole PubChem CID: 11432 IUPAC Name: 1,2,4-triazol-4-amine SMILES: C1=NN=CN1N
| PubChem CID | 11432 |
|---|---|
| CAS | 584-13-4 |
| Molecular Weight (g/mol) | 84.082 |
| MDL Number | MFCD00003099 |
| SMILES | C1=NN=CN1N |
| Synonym | 4-amino-1,2,4-triazole,4-amino-4h-1,2,4-triazole,4h-1,2,4-triazol-4-amine,1-amino-1,3,4-triazole,4h-1,2,4-triazole, 4-amino,1-amino-1h-1,3,4-triazole,4-amino-1,2,4 4h-triazole,4h-1,2,4-triazol-4-ylamine,1-amino-1,4-triazole,4-amino-1,4-triazole |
| IUPAC Name | 1,2,4-triazol-4-amine |
| InChI Key | FMCUPJKTGNBGEC-UHFFFAOYSA-N |
| Molecular Formula | C2H4N4 |
2,4-Dibromothiazole 98.0+%, TCI America™
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CAS: 4175-77-3 Molecular Formula: C3HBr2NS Molecular Weight (g/mol): 242.916 MDL Number: MFCD01318994 InChI Key: MKEJZKKVVUZXIS-UHFFFAOYSA-N Synonym: 2,4-dibromothiazole,2,4-dibromo thiazole,dibromothiazole,2.4-dibromothiazole,soxlllqacqdfwmijp@,2,4-dibromo-thiazole,acmc-209jll,ksc235o5d,2 pound not4-dibromo-thiazole PubChem CID: 2763297 IUPAC Name: 2,4-dibromo-1,3-thiazole SMILES: C1=C(N=C(S1)Br)Br
| PubChem CID | 2763297 |
|---|---|
| CAS | 4175-77-3 |
| Molecular Weight (g/mol) | 242.916 |
| MDL Number | MFCD01318994 |
| SMILES | C1=C(N=C(S1)Br)Br |
| Synonym | 2,4-dibromothiazole,2,4-dibromo thiazole,dibromothiazole,2.4-dibromothiazole,soxlllqacqdfwmijp@,2,4-dibromo-thiazole,acmc-209jll,ksc235o5d,2 pound not4-dibromo-thiazole |
| IUPAC Name | 2,4-dibromo-1,3-thiazole |
| InChI Key | MKEJZKKVVUZXIS-UHFFFAOYSA-N |
| Molecular Formula | C3HBr2NS |
8-Azaadenine 98.0+%, TCI America™
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CAS: 1123-54-2 Molecular Formula: C4H4N6 Molecular Weight (g/mol): 136.12 MDL Number: MFCD00005697 InChI Key: HRYKDUPGBWLLHO-UHFFFAOYSA-N PubChem CID: 70746 ChEBI: CHEBI:77751 IUPAC Name: 2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine SMILES: NC1=NC=NC2=NNN=C12
| PubChem CID | 70746 |
|---|---|
| CAS | 1123-54-2 |
| Molecular Weight (g/mol) | 136.12 |
| ChEBI | CHEBI:77751 |
| MDL Number | MFCD00005697 |
| SMILES | NC1=NC=NC2=NNN=C12 |
| IUPAC Name | 2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine |
| InChI Key | HRYKDUPGBWLLHO-UHFFFAOYSA-N |
| Molecular Formula | C4H4N6 |
3-Amino-4-pyrazolecarbonitrile 98.0+%, TCI America™
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CAS: 16617-46-2 Molecular Formula: C4H4N4 Molecular Weight (g/mol): 108.104 MDL Number: MFCD00005237 InChI Key: FFNKBQRKZRMYCL-UHFFFAOYSA-N Synonym: 3-amino-4-pyrazolecarbonitrile,3-amino-1h-pyrazole-4-carbonitrile,3-amino-4-cyanopyrazole,3-aminopyrazole-4-carbonitrile,5-amino-4-cyanopyrazole,1h-pyrazole-4-carbonitrile, 3-amino,5-aminopyrazole-4-carbonitrile,3-amino-4-cyano-1h-pyrazole,4-cyano-5-aminopyrazole,3-amino-4-cyano pyrazole PubChem CID: 85515 IUPAC Name: 5-amino-1H-pyrazole-4-carbonitrile SMILES: C1=NNC(=C1C#N)N
| PubChem CID | 85515 |
|---|---|
| CAS | 16617-46-2 |
| Molecular Weight (g/mol) | 108.104 |
| MDL Number | MFCD00005237 |
| SMILES | C1=NNC(=C1C#N)N |
| Synonym | 3-amino-4-pyrazolecarbonitrile,3-amino-1h-pyrazole-4-carbonitrile,3-amino-4-cyanopyrazole,3-aminopyrazole-4-carbonitrile,5-amino-4-cyanopyrazole,1h-pyrazole-4-carbonitrile, 3-amino,5-aminopyrazole-4-carbonitrile,3-amino-4-cyano-1h-pyrazole,4-cyano-5-aminopyrazole,3-amino-4-cyano pyrazole |
| IUPAC Name | 5-amino-1H-pyrazole-4-carbonitrile |
| InChI Key | FFNKBQRKZRMYCL-UHFFFAOYSA-N |
| Molecular Formula | C4H4N4 |
1,3-Dimethylimidazolium Iodide 98.0+%, TCI America™
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CAS: 4333-62-4 Molecular Formula: C5H9IN2 Molecular Weight (g/mol): 224.045 MDL Number: MFCD00159685 InChI Key: ARSMIBSHEYKMJT-UHFFFAOYSA-M PubChem CID: 20334 ChEBI: CHEBI:61324 IUPAC Name: 1,3-dimethylimidazol-1-ium;iodide SMILES: CN1C=C[N+](=C1)C.[I-]
| PubChem CID | 20334 |
|---|---|
| CAS | 4333-62-4 |
| Molecular Weight (g/mol) | 224.045 |
| ChEBI | CHEBI:61324 |
| MDL Number | MFCD00159685 |
| SMILES | CN1C=C[N+](=C1)C.[I-] |
| IUPAC Name | 1,3-dimethylimidazol-1-ium;iodide |
| InChI Key | ARSMIBSHEYKMJT-UHFFFAOYSA-M |
| Molecular Formula | C5H9IN2 |
1-(Methoxymethyl)-1H-benzotriazole 98.0+%, TCI America™
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CAS: 71878-80-3 Molecular Formula: C8H9N3O Molecular Weight (g/mol): 163.18 MDL Number: MFCD00216630 InChI Key: QEIXBXXKTUNWDK-UHFFFAOYSA-N PubChem CID: 542390 IUPAC Name: 1-(methoxymethyl)-1H-1,2,3-benzotriazole SMILES: COCN1N=NC2=CC=CC=C12
| PubChem CID | 542390 |
|---|---|
| CAS | 71878-80-3 |
| Molecular Weight (g/mol) | 163.18 |
| MDL Number | MFCD00216630 |
| SMILES | COCN1N=NC2=CC=CC=C12 |
| IUPAC Name | 1-(methoxymethyl)-1H-1,2,3-benzotriazole |
| InChI Key | QEIXBXXKTUNWDK-UHFFFAOYSA-N |
| Molecular Formula | C8H9N3O |
Methyl Indazole-6-carboxylate 97.0+%, TCI America™
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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-(4-tert-Butylphenyl)-5-(4-biphenylyl)-1,3,4-oxadiazole 98.0+%, TCI America™
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CAS: 15082-28-7 Molecular Formula: C24H22N2O Molecular Weight (g/mol): 354.453 MDL Number: MFCD00003101 InChI Key: XZCJVWCMJYNSQO-UHFFFAOYSA-N Synonym: butyl pbd,butyl-pbd,2-4-biphenylyl-5-4-tert-butylphenyl-1,3,4-oxadiazole,2-4-tert-butylphenyl-5-4-biphenylyl-1,3,4-oxadiazole,2-1,1'-biphenyl-4-yl-5-4-tert-butyl phenyl-1,3,4-oxadiazole,2-4-tert-butylphenyl-5-4-biphenyl-1,3,4-oxadiazole,1,3,4-oxadiazole, 2-1,1'-biphenyl-4-yl-5-4-1,1-dimethylethyl phenyl,2-biphenyl-4-yl-5-4-tert-butylphenyl-1,3,4-oxadiazole,1,3,4-oxadiazole, 2-4-biphenylyl-5-p-tert-butylphenyl,2-t-butylphenyl-5-4-biphenylyl-1,3,4-oxadiazole PubChem CID: 84782 IUPAC Name: 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C4=CC=CC=C4
| PubChem CID | 84782 |
|---|---|
| CAS | 15082-28-7 |
| Molecular Weight (g/mol) | 354.453 |
| MDL Number | MFCD00003101 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C4=CC=CC=C4 |
| Synonym | butyl pbd,butyl-pbd,2-4-biphenylyl-5-4-tert-butylphenyl-1,3,4-oxadiazole,2-4-tert-butylphenyl-5-4-biphenylyl-1,3,4-oxadiazole,2-1,1'-biphenyl-4-yl-5-4-tert-butyl phenyl-1,3,4-oxadiazole,2-4-tert-butylphenyl-5-4-biphenyl-1,3,4-oxadiazole,1,3,4-oxadiazole, 2-1,1'-biphenyl-4-yl-5-4-1,1-dimethylethyl phenyl,2-biphenyl-4-yl-5-4-tert-butylphenyl-1,3,4-oxadiazole,1,3,4-oxadiazole, 2-4-biphenylyl-5-p-tert-butylphenyl,2-t-butylphenyl-5-4-biphenylyl-1,3,4-oxadiazole |
| IUPAC Name | 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole |
| InChI Key | XZCJVWCMJYNSQO-UHFFFAOYSA-N |
| Molecular Formula | C24H22N2O |
Thifluzamide 98.0+%, TCI America™
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CAS: 130000-40-7 Molecular Formula: C13H6Br2F6N2O2S Molecular Weight (g/mol): 528.061 MDL Number: MFCD03428071 InChI Key: WOSNCVAPUOFXEH-UHFFFAOYSA-N Synonym: N-[2,6-Dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)thiazole-5-carboxamide PubChem CID: 86389 ChEBI: CHEBI:81794 IUPAC Name: N-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide SMILES: CC1=NC(=C(S1)C(=O)NC2=C(C=C(C=C2Br)OC(F)(F)F)Br)C(F)(F)F
| PubChem CID | 86389 |
|---|---|
| CAS | 130000-40-7 |
| Molecular Weight (g/mol) | 528.061 |
| ChEBI | CHEBI:81794 |
| MDL Number | MFCD03428071 |
| SMILES | CC1=NC(=C(S1)C(=O)NC2=C(C=C(C=C2Br)OC(F)(F)F)Br)C(F)(F)F |
| Synonym | N-[2,6-Dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)thiazole-5-carboxamide |
| IUPAC Name | N-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide |
| InChI Key | WOSNCVAPUOFXEH-UHFFFAOYSA-N |
| Molecular Formula | C13H6Br2F6N2O2S |
N-(Carbobenzoxy)-1H-pyrazole-1-carboxamidine 98.0+%, TCI America™
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CAS: 152120-62-2 Molecular Formula: C12H12N4O2 Molecular Weight (g/mol): 244.254 MDL Number: MFCD00274657 InChI Key: BXUMISWXFKCEIA-UHFFFAOYSA-N Synonym: n-z-1h-pyrazole-1-carboxamidine,benzyl imino 1h-pyrazol-1-yl methyl carbamate,n-benzyloxycarbonyl-1h-pyrazole-1-carboxamidine,n-carbobenzoxy-1h-pyrazole-1-carboxamidine,n-z-1h-pyrazole-1-carboxamdne,benzyl n-imino 1-pyrazolyl methyl carbamate,benzyl imino-1h-pyrazol-1-yl methylcarbamate PubChem CID: 11857377 IUPAC Name: benzyl (NE)-N-[amino(pyrazol-1-yl)methylidene]carbamate SMILES: C1=CC=C(C=C1)COC(=O)N=C(N)N2C=CC=N2
| PubChem CID | 11857377 |
|---|---|
| CAS | 152120-62-2 |
| Molecular Weight (g/mol) | 244.254 |
| MDL Number | MFCD00274657 |
| SMILES | C1=CC=C(C=C1)COC(=O)N=C(N)N2C=CC=N2 |
| Synonym | n-z-1h-pyrazole-1-carboxamidine,benzyl imino 1h-pyrazol-1-yl methyl carbamate,n-benzyloxycarbonyl-1h-pyrazole-1-carboxamidine,n-carbobenzoxy-1h-pyrazole-1-carboxamidine,n-z-1h-pyrazole-1-carboxamdne,benzyl n-imino 1-pyrazolyl methyl carbamate,benzyl imino-1h-pyrazol-1-yl methylcarbamate |
| IUPAC Name | benzyl (NE)-N-[amino(pyrazol-1-yl)methylidene]carbamate |
| InChI Key | BXUMISWXFKCEIA-UHFFFAOYSA-N |
| Molecular Formula | C12H12N4O2 |
4-(Chloromethyl)-3,5-dimethylisoxazole 95.0+%, TCI America™
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CAS: 19788-37-5 Molecular Formula: C6H8ClNO Molecular Weight (g/mol): 145.586 MDL Number: MFCD00003154 InChI Key: NIFAUKBQIAURIM-UHFFFAOYSA-N Synonym: 4-chloromethyl-3,5-dimethylisoxazole,isoxazole, 4-chloromethyl-3,5-dimethyl,4-chloromethyl-3,5-dimethyl-1,2-oxazole,4-chloromethyl-3,5-dimethyl-isoxazole,3,5-dimethyl-4-chloromethylisoxazole,4-chloromethyl-3,5-dimethyl isoxazole,pubchem8667,acmc-1c8qy,akos bc-3064 PubChem CID: 88246 IUPAC Name: 4-(chloromethyl)-3,5-dimethyl-1,2-oxazole SMILES: CC1=C(C(=NO1)C)CCl
| PubChem CID | 88246 |
|---|---|
| CAS | 19788-37-5 |
| Molecular Weight (g/mol) | 145.586 |
| MDL Number | MFCD00003154 |
| SMILES | CC1=C(C(=NO1)C)CCl |
| Synonym | 4-chloromethyl-3,5-dimethylisoxazole,isoxazole, 4-chloromethyl-3,5-dimethyl,4-chloromethyl-3,5-dimethyl-1,2-oxazole,4-chloromethyl-3,5-dimethyl-isoxazole,3,5-dimethyl-4-chloromethylisoxazole,4-chloromethyl-3,5-dimethyl isoxazole,pubchem8667,acmc-1c8qy,akos bc-3064 |
| IUPAC Name | 4-(chloromethyl)-3,5-dimethyl-1,2-oxazole |
| InChI Key | NIFAUKBQIAURIM-UHFFFAOYSA-N |
| Molecular Formula | C6H8ClNO |
Ethyl 2-Bromothiazole-4-carboxylate 95.0+%, TCI America™
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CAS: 100367-77-9 Molecular Formula: C6H6BrNO2S Molecular Weight (g/mol): 236.083 MDL Number: MFCD03788564 InChI Key: CNHISCQPKKGDPO-UHFFFAOYSA-N PubChem CID: 353965 IUPAC Name: ethyl 2-bromo-1,3-thiazole-4-carboxylate SMILES: CCOC(=O)C1=CSC(=N1)Br
| PubChem CID | 353965 |
|---|---|
| CAS | 100367-77-9 |
| Molecular Weight (g/mol) | 236.083 |
| MDL Number | MFCD03788564 |
| SMILES | CCOC(=O)C1=CSC(=N1)Br |
| IUPAC Name | ethyl 2-bromo-1,3-thiazole-4-carboxylate |
| InChI Key | CNHISCQPKKGDPO-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrNO2S |