Azoles
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1-Butyl-2,3-dimethylimidazolium Bis(trifluoromethanesulfonyl)imide 98.0+%, TCI America™
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CAS: 350493-08-2 Molecular Formula: C11H17F6N3O4S2 Molecular Weight (g/mol): 433.384 InChI Key: UCCKRVYTJPMHRO-UHFFFAOYSA-N PubChem CID: 11212667 IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1-butyl-2,3-dimethylimidazol-3-ium SMILES: CCCCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
| PubChem CID | 11212667 |
|---|---|
| CAS | 350493-08-2 |
| Molecular Weight (g/mol) | 433.384 |
| SMILES | CCCCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F |
| IUPAC Name | bis(trifluoromethylsulfonyl)azanide;1-butyl-2,3-dimethylimidazol-3-ium |
| InChI Key | UCCKRVYTJPMHRO-UHFFFAOYSA-N |
| Molecular Formula | C11H17F6N3O4S2 |
5-Methyl-3,4-diphenylisoxazole 98.0+%, TCI America™
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CAS: 37928-17-9 Molecular Formula: C16H13NO Molecular Weight (g/mol): 235.286 MDL Number: MFCD18449672 InChI Key: ZXIRUKJWLADSJS-UHFFFAOYSA-N Synonym: 5-methyl-3,4-diphenylisoxazole,5-methyl-3,4-diphenyl-isoxazole,isoxazole, 5-methyl-3,4-diphenyl,d04ypp,3,4-diphenyl-5-methylisoxazole,3,4-diphenyl-5-methyl isoxazole,3,4-diphenyl-5-methyl-isoxazole,5-methyl-3,4-diphenyl isoxazole PubChem CID: 9991673 IUPAC Name: 5-methyl-3,4-diphenyl-1,2-oxazole SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=CC=C3
| PubChem CID | 9991673 |
|---|---|
| CAS | 37928-17-9 |
| Molecular Weight (g/mol) | 235.286 |
| MDL Number | MFCD18449672 |
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=CC=C3 |
| Synonym | 5-methyl-3,4-diphenylisoxazole,5-methyl-3,4-diphenyl-isoxazole,isoxazole, 5-methyl-3,4-diphenyl,d04ypp,3,4-diphenyl-5-methylisoxazole,3,4-diphenyl-5-methyl isoxazole,3,4-diphenyl-5-methyl-isoxazole,5-methyl-3,4-diphenyl isoxazole |
| IUPAC Name | 5-methyl-3,4-diphenyl-1,2-oxazole |
| InChI Key | ZXIRUKJWLADSJS-UHFFFAOYSA-N |
| Molecular Formula | C16H13NO |
2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine 98.0+%, TCI America™
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CAS: 219508-27-7 Molecular Formula: C8H5F3N4 Molecular Weight (g/mol): 214.151 MDL Number: MFCD26403657 InChI Key: MOGTVLAYAVGOJK-UHFFFAOYSA-N Synonym: 3-(Trifluoromethyl)-5-(2-pyridyl)-1,2,4-triazole PubChem CID: 20807129 IUPAC Name: 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine SMILES: C1=CC=NC(=C1)C2=NNC(=N2)C(F)(F)F
| PubChem CID | 20807129 |
|---|---|
| CAS | 219508-27-7 |
| Molecular Weight (g/mol) | 214.151 |
| MDL Number | MFCD26403657 |
| SMILES | C1=CC=NC(=C1)C2=NNC(=N2)C(F)(F)F |
| Synonym | 3-(Trifluoromethyl)-5-(2-pyridyl)-1,2,4-triazole |
| IUPAC Name | 2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine |
| InChI Key | MOGTVLAYAVGOJK-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3N4 |
2-Amino-4-(1-naphthyl)thiazole 97.0+%, TCI America™
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CAS: 56503-96-9 Molecular Formula: C13H10N2S Molecular Weight (g/mol): 226.30 MDL Number: MFCD00236016 InChI Key: NBQUWOCIFFHZTM-UHFFFAOYSA-N Synonym: 2-amino-4-1-naphthyl thiazole,4-1-naphthalenyl-2-thiazolamine,4-naphthalen-1-yl-thiazol-2-ylamine,2-thiazolamine, 4-1-naphthalenyl,4-naphthalen-1-yl-1,3-thiazol-2-amine,4-naphthalen-1-yl thiazol-2-amine,4-naphthalen-1-yl-thiazol-2-yl-amine,4-1-naphthyl-1,3-thiazol-2-amine,2-amino-4-alpha-naphthylthiazole,2-amino-4-1-naphthalenyl-1,3-thiazole PubChem CID: 151342 IUPAC Name: 4-(naphthalen-1-yl)-1,3-thiazol-2-amine SMILES: NC1=NC(=CS1)C1=C2C=CC=CC2=CC=C1
| PubChem CID | 151342 |
|---|---|
| CAS | 56503-96-9 |
| Molecular Weight (g/mol) | 226.30 |
| MDL Number | MFCD00236016 |
| SMILES | NC1=NC(=CS1)C1=C2C=CC=CC2=CC=C1 |
| Synonym | 2-amino-4-1-naphthyl thiazole,4-1-naphthalenyl-2-thiazolamine,4-naphthalen-1-yl-thiazol-2-ylamine,2-thiazolamine, 4-1-naphthalenyl,4-naphthalen-1-yl-1,3-thiazol-2-amine,4-naphthalen-1-yl thiazol-2-amine,4-naphthalen-1-yl-thiazol-2-yl-amine,4-1-naphthyl-1,3-thiazol-2-amine,2-amino-4-alpha-naphthylthiazole,2-amino-4-1-naphthalenyl-1,3-thiazole |
| IUPAC Name | 4-(naphthalen-1-yl)-1,3-thiazol-2-amine |
| InChI Key | NBQUWOCIFFHZTM-UHFFFAOYSA-N |
| Molecular Formula | C13H10N2S |
4,5-Dimethylthiazole 98.0+%, TCI America™
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CAS: 3581-91-7 Molecular Formula: C5H7NS Molecular Weight (g/mol): 113.178 MDL Number: MFCD00005336 InChI Key: UWSONZCNXUSTKW-UHFFFAOYSA-N Synonym: 4,5-dimethylthiazole,thiazole, 4,5-dimethyl,4,5-dimethyl thiazole,4,5-dimethyl-thiazole,unii-u3rp5i088g,fema no. 3274,pubchem9938,acmc-209ijb,dimethylthiazole, 4,5,4-27-00-00986 beilstein handbook reference PubChem CID: 62510 IUPAC Name: 4,5-dimethyl-1,3-thiazole SMILES: CC1=C(SC=N1)C
| PubChem CID | 62510 |
|---|---|
| CAS | 3581-91-7 |
| Molecular Weight (g/mol) | 113.178 |
| MDL Number | MFCD00005336 |
| SMILES | CC1=C(SC=N1)C |
| Synonym | 4,5-dimethylthiazole,thiazole, 4,5-dimethyl,4,5-dimethyl thiazole,4,5-dimethyl-thiazole,unii-u3rp5i088g,fema no. 3274,pubchem9938,acmc-209ijb,dimethylthiazole, 4,5,4-27-00-00986 beilstein handbook reference |
| IUPAC Name | 4,5-dimethyl-1,3-thiazole |
| InChI Key | UWSONZCNXUSTKW-UHFFFAOYSA-N |
| Molecular Formula | C5H7NS |
1-Hexyl-3-methylimidazolium Iodide 98.0+%, TCI America™
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CAS: 178631-05-5 Molecular Formula: C10H19IN2 Molecular Weight (g/mol): 294.18 MDL Number: MFCD12964976 InChI Key: CZIUVCSYOGFUPH-UHFFFAOYSA-M Synonym: 1-hexyl-3-methylimidazolium iodide,1-hexyl-3-methyl-1h-imidazol-3-ium iodide,1-n-hexyl-3-methylimidazolium iodide,dsstox_cid_27927,dsstox_rid_82680,dsstox_gsid_47951,1-methyl-3-hexylimidazolium iodide,1-hexyl-3-me-thylimidazolium iodide,1h-imidazolium,1-hexyl-3-methyl-,iodide,1-hexyl-3-methylimidazolium iodide hplc PubChem CID: 12036651 IUPAC Name: 1-hexyl-3-methylimidazol-3-ium;iodide SMILES: CCCCCCN1C=C[N+](=C1)C.[I-]
| PubChem CID | 12036651 |
|---|---|
| CAS | 178631-05-5 |
| Molecular Weight (g/mol) | 294.18 |
| MDL Number | MFCD12964976 |
| SMILES | CCCCCCN1C=C[N+](=C1)C.[I-] |
| Synonym | 1-hexyl-3-methylimidazolium iodide,1-hexyl-3-methyl-1h-imidazol-3-ium iodide,1-n-hexyl-3-methylimidazolium iodide,dsstox_cid_27927,dsstox_rid_82680,dsstox_gsid_47951,1-methyl-3-hexylimidazolium iodide,1-hexyl-3-me-thylimidazolium iodide,1h-imidazolium,1-hexyl-3-methyl-,iodide,1-hexyl-3-methylimidazolium iodide hplc |
| IUPAC Name | 1-hexyl-3-methylimidazol-3-ium;iodide |
| InChI Key | CZIUVCSYOGFUPH-UHFFFAOYSA-M |
| Molecular Formula | C10H19IN2 |
1-Ethyl-3-methylimidazolium Chloride 98.0+%, TCI America™
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CAS: 65039-09-0 Molecular Formula: C6H11ClN2 Molecular Weight (g/mol): 146.62 MDL Number: MFCD00074843 InChI Key: BMQZYMYBQZGEEY-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium chloride,1-ethyl-3-methyl-1h-imidazol-3-ium chloride,emim cl,unii-ph90aq1e93,1-ethyl-3-methylimidazoliumchloride,1-methyl-3-ethylimidazolium chloride,1-ethyl-3-methylimidazol-3-ium chloride,emim-cl,basionics™ st 80,dsstox_cid_21180 PubChem CID: 2734160 ChEBI: CHEBI:61327 IUPAC Name: 1-ethyl-3-methyl-1H-imidazol-3-ium chloride SMILES: [Cl-].CCN1C=C[N+](C)=C1
| PubChem CID | 2734160 |
|---|---|
| CAS | 65039-09-0 |
| Molecular Weight (g/mol) | 146.62 |
| ChEBI | CHEBI:61327 |
| MDL Number | MFCD00074843 |
| SMILES | [Cl-].CCN1C=C[N+](C)=C1 |
| Synonym | 1-ethyl-3-methylimidazolium chloride,1-ethyl-3-methyl-1h-imidazol-3-ium chloride,emim cl,unii-ph90aq1e93,1-ethyl-3-methylimidazoliumchloride,1-methyl-3-ethylimidazolium chloride,1-ethyl-3-methylimidazol-3-ium chloride,emim-cl,basionics™ st 80,dsstox_cid_21180 |
| IUPAC Name | 1-ethyl-3-methyl-1H-imidazol-3-ium chloride |
| InChI Key | BMQZYMYBQZGEEY-UHFFFAOYSA-M |
| Molecular Formula | C6H11ClN2 |
4-Methylpyrazole 98.0+%, TCI America™
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CAS: 7554-65-6 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.106 MDL Number: MFCD00005245 InChI Key: RIKMMFOAQPJVMX-UHFFFAOYSA-N Synonym: 4-methylpyrazole,fomepizole,antizol,1h-pyrazole, 4-methyl,fomepizol,4-methylpyrazol,fomepizolum,fomepizol inn-spanish,fomepizolum inn-latin,fomepizole usan:inn PubChem CID: 3406 ChEBI: CHEBI:5141 IUPAC Name: 4-methyl-1H-pyrazole SMILES: CC1=CNN=C1
| PubChem CID | 3406 |
|---|---|
| CAS | 7554-65-6 |
| Molecular Weight (g/mol) | 82.106 |
| ChEBI | CHEBI:5141 |
| MDL Number | MFCD00005245 |
| SMILES | CC1=CNN=C1 |
| Synonym | 4-methylpyrazole,fomepizole,antizol,1h-pyrazole, 4-methyl,fomepizol,4-methylpyrazol,fomepizolum,fomepizol inn-spanish,fomepizolum inn-latin,fomepizole usan:inn |
| IUPAC Name | 4-methyl-1H-pyrazole |
| InChI Key | RIKMMFOAQPJVMX-UHFFFAOYSA-N |
| Molecular Formula | C4H6N2 |
1-Butyl-2,3-dimethylimidazolium Tetrafluoroborate 98.0+%, TCI America™
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CAS: 402846-78-0 Molecular Formula: C9H17BF4N2 Molecular Weight (g/mol): 240.05 MDL Number: MFCD03427618 InChI Key: VCAIYEJBOWHUGP-UHFFFAOYSA-N Synonym: 1-butyl-2,3-dimethylimidazolium tetrafluoroborate,1-n-butyl-2,3-dimethylimidazolium tetrafluoroborate,1-butyl-2,3-dimethylimidazol-1-ium tetrafluoroborate,3-butyl-1,2-dimethylimidazol-1-ium tetrafluoroborate,bdmim bf4,acmc-209jcq,dsstox_cid_27885,dsstox_rid_82638,dsstox_gsid_47909,ksc235m3b PubChem CID: 2734244 IUPAC Name: 1-butyl-2,3-dimethyl-1H-imidazol-3-ium; tetrafluoroboranuide SMILES: F[B-](F)(F)F.CCCCN1C=C[N+](C)=C1C
| PubChem CID | 2734244 |
|---|---|
| CAS | 402846-78-0 |
| Molecular Weight (g/mol) | 240.05 |
| MDL Number | MFCD03427618 |
| SMILES | F[B-](F)(F)F.CCCCN1C=C[N+](C)=C1C |
| Synonym | 1-butyl-2,3-dimethylimidazolium tetrafluoroborate,1-n-butyl-2,3-dimethylimidazolium tetrafluoroborate,1-butyl-2,3-dimethylimidazol-1-ium tetrafluoroborate,3-butyl-1,2-dimethylimidazol-1-ium tetrafluoroborate,bdmim bf4,acmc-209jcq,dsstox_cid_27885,dsstox_rid_82638,dsstox_gsid_47909,ksc235m3b |
| IUPAC Name | 1-butyl-2,3-dimethyl-1H-imidazol-3-ium; tetrafluoroboranuide |
| InChI Key | VCAIYEJBOWHUGP-UHFFFAOYSA-N |
| Molecular Formula | C9H17BF4N2 |
2-Ethyl-4-methylthiazole 98.0+%, TCI America™
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CAS: 15679-12-6 Molecular Formula: C6H9NS Molecular Weight (g/mol): 127.205 MDL Number: MFCD00036621 InChI Key: VGRVKVGGUPOCMT-UHFFFAOYSA-N Synonym: 2-ethyl-4-methylthiazole,2-ethyl-4-methyl thiazole,thiazole, 2-ethyl-4-methyl,unii-lvc1zv6x4u,4-methyl-2-ethylthiazole,lvc1zv6x4u,2-ethyl-4-methyl-thiazole,fema no. 3680,pubchem9939,acmc-1buw7 PubChem CID: 27440 IUPAC Name: 2-ethyl-4-methyl-1,3-thiazole SMILES: CCC1=NC(=CS1)C
| PubChem CID | 27440 |
|---|---|
| CAS | 15679-12-6 |
| Molecular Weight (g/mol) | 127.205 |
| MDL Number | MFCD00036621 |
| SMILES | CCC1=NC(=CS1)C |
| Synonym | 2-ethyl-4-methylthiazole,2-ethyl-4-methyl thiazole,thiazole, 2-ethyl-4-methyl,unii-lvc1zv6x4u,4-methyl-2-ethylthiazole,lvc1zv6x4u,2-ethyl-4-methyl-thiazole,fema no. 3680,pubchem9939,acmc-1buw7 |
| IUPAC Name | 2-ethyl-4-methyl-1,3-thiazole |
| InChI Key | VGRVKVGGUPOCMT-UHFFFAOYSA-N |
| Molecular Formula | C6H9NS |
5-Nitroindazole 98.0+%, TCI America™
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CAS: 5401-94-5 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.136 MDL Number: MFCD00005693 InChI Key: WSGURAYTCUVDQL-UHFFFAOYSA-N Synonym: 5-nitroindazole,1h-indazole, 5-nitro,unii-235y7p37zd,ccris 4134,2h-indazole, 5-nitro,5ni,5-nitroindazol,5-nitro indazole,5-nitro-indazole,5-nitro-1h-indazol PubChem CID: 21501 IUPAC Name: 5-nitro-1H-indazole SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C=NN2
| PubChem CID | 21501 |
|---|---|
| CAS | 5401-94-5 |
| Molecular Weight (g/mol) | 163.136 |
| MDL Number | MFCD00005693 |
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C=NN2 |
| Synonym | 5-nitroindazole,1h-indazole, 5-nitro,unii-235y7p37zd,ccris 4134,2h-indazole, 5-nitro,5ni,5-nitroindazol,5-nitro indazole,5-nitro-indazole,5-nitro-1h-indazol |
| IUPAC Name | 5-nitro-1H-indazole |
| InChI Key | WSGURAYTCUVDQL-UHFFFAOYSA-N |
| Molecular Formula | C7H5N3O2 |
1,4-Dimethyl-1,2,4-triazolium Iodide 98.0+%, TCI America™
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CAS: 120317-69-3 Molecular Formula: C4H8IN3 Molecular Weight (g/mol): 225.033 InChI Key: IMFBMMNQDMTHGG-UHFFFAOYSA-M PubChem CID: 10987916 IUPAC Name: 1,4-dimethyl-1,2,4-triazol-4-ium;iodide SMILES: CN1C=[N+](C=N1)C.[I-]
| PubChem CID | 10987916 |
|---|---|
| CAS | 120317-69-3 |
| Molecular Weight (g/mol) | 225.033 |
| SMILES | CN1C=[N+](C=N1)C.[I-] |
| IUPAC Name | 1,4-dimethyl-1,2,4-triazol-4-ium;iodide |
| InChI Key | IMFBMMNQDMTHGG-UHFFFAOYSA-M |
| Molecular Formula | C4H8IN3 |
1-Phenethylimidazole 98.0+%, TCI America™
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CAS: 49823-14-5 Molecular Formula: C11H12N2 Molecular Weight (g/mol): 172.231 MDL Number: MFCD11977663 InChI Key: SSENHTOBLYRWKU-UHFFFAOYSA-N Synonym: 1-(Phenylethyl)imidazole PubChem CID: 10219621 IUPAC Name: 1-(2-phenylethyl)imidazole SMILES: C1=CC=C(C=C1)CCN2C=CN=C2
| PubChem CID | 10219621 |
|---|---|
| CAS | 49823-14-5 |
| Molecular Weight (g/mol) | 172.231 |
| MDL Number | MFCD11977663 |
| SMILES | C1=CC=C(C=C1)CCN2C=CN=C2 |
| Synonym | 1-(Phenylethyl)imidazole |
| IUPAC Name | 1-(2-phenylethyl)imidazole |
| InChI Key | SSENHTOBLYRWKU-UHFFFAOYSA-N |
| Molecular Formula | C11H12N2 |
1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene 98.0+%, TCI America™
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CAS: 192198-85-9 Molecular Formula: C45H30N6 Molecular Weight (g/mol): 654.78 MDL Number: MFCD08276433 InChI Key: GEQBRULPNIVQPP-UHFFFAOYSA-N Synonym: 2,2′,2′′-(1,3,5-Benzenetriyl)tris(1-phenyl-1H-benzimidazole), TPBi PubChem CID: 21932919 IUPAC Name: 2-[3,5-bis(1-phenyl-1H-1,3-benzodiazol-2-yl)phenyl]-1-phenyl-1H-1,3-benzodiazole SMILES: C1=CC=C(C=C1)N1C2=CC=CC=C2N=C1C1=CC(=CC(=C1)C1=NC2=CC=CC=C2N1C1=CC=CC=C1)C1=NC2=CC=CC=C2N1C1=CC=CC=C1
| PubChem CID | 21932919 |
|---|---|
| CAS | 192198-85-9 |
| Molecular Weight (g/mol) | 654.78 |
| MDL Number | MFCD08276433 |
| SMILES | C1=CC=C(C=C1)N1C2=CC=CC=C2N=C1C1=CC(=CC(=C1)C1=NC2=CC=CC=C2N1C1=CC=CC=C1)C1=NC2=CC=CC=C2N1C1=CC=CC=C1 |
| Synonym | 2,2′,2′′-(1,3,5-Benzenetriyl)tris(1-phenyl-1H-benzimidazole), TPBi |
| IUPAC Name | 2-[3,5-bis(1-phenyl-1H-1,3-benzodiazol-2-yl)phenyl]-1-phenyl-1H-1,3-benzodiazole |
| InChI Key | GEQBRULPNIVQPP-UHFFFAOYSA-N |
| Molecular Formula | C45H30N6 |
2-Methylthiazole-5-carboxylic Acid 98.0+%, TCI America™
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CAS: 40004-69-1 Molecular Formula: C5H5NO2S Molecular Weight (g/mol): 143.16 MDL Number: MFCD01760300 InChI Key: QCXCIYPOMMIBHO-UHFFFAOYSA-N PubChem CID: 98845 IUPAC Name: 2-methyl-1,3-thiazole-5-carboxylic acid SMILES: CC1=NC=C(S1)C(=O)O
| PubChem CID | 98845 |
|---|---|
| CAS | 40004-69-1 |
| Molecular Weight (g/mol) | 143.16 |
| MDL Number | MFCD01760300 |
| SMILES | CC1=NC=C(S1)C(=O)O |
| IUPAC Name | 2-methyl-1,3-thiazole-5-carboxylic acid |
| InChI Key | QCXCIYPOMMIBHO-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO2S |