Organoheterocyclic compounds
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3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline 98.0+%, TCI America™
CAS: 641571-11-1 Molecular Formula: C11H10F3N3 Molecular Weight (g/mol): 241.217 MDL Number: MFCD11846236 InChI Key: WWTGXYAJVXKEKL-UHFFFAOYSA-N Synonym: 1-[3-Amino-5-(trifluoromethyl)phenyl]-4-methylimidazole PubChem CID: 12002825 IUPAC Name: 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline SMILES: CC1=CN(C=N1)C2=CC(=CC(=C2)C(F)(F)F)N
| PubChem CID | 12002825 |
|---|---|
| CAS | 641571-11-1 |
| Molecular Weight (g/mol) | 241.217 |
| MDL Number | MFCD11846236 |
| SMILES | CC1=CN(C=N1)C2=CC(=CC(=C2)C(F)(F)F)N |
| Synonym | 1-[3-Amino-5-(trifluoromethyl)phenyl]-4-methylimidazole |
| IUPAC Name | 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline |
| InChI Key | WWTGXYAJVXKEKL-UHFFFAOYSA-N |
| Molecular Formula | C11H10F3N3 |
1-Methyl-4-imidazolecarboxylic Acid 98.0+%, TCI America™
CAS: 41716-18-1 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.115 MDL Number: MFCD02179560 InChI Key: WZTRQGJMMHMFGH-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole-4-carboxylic acid,1-methyl-imidazole-4-carboxylic acid,1-methyl-4-imidazole-carboxylic acid,1-methyl-4-imidazolecarboxylicacid,pubchem9001,acmc-1am6x,1-methyl-4-imidazolic acid,ksc237q3j,1-methyl-4-imidazolecarboxylic acid,1-methyl-1h-4carboxylic acid PubChem CID: 541509 ChEBI: CHEBI:74746 IUPAC Name: 1-methylimidazole-4-carboxylic acid SMILES: CN1C=C(N=C1)C(=O)O
| PubChem CID | 541509 |
|---|---|
| CAS | 41716-18-1 |
| Molecular Weight (g/mol) | 126.115 |
| ChEBI | CHEBI:74746 |
| MDL Number | MFCD02179560 |
| SMILES | CN1C=C(N=C1)C(=O)O |
| Synonym | 1-methyl-1h-imidazole-4-carboxylic acid,1-methyl-imidazole-4-carboxylic acid,1-methyl-4-imidazole-carboxylic acid,1-methyl-4-imidazolecarboxylicacid,pubchem9001,acmc-1am6x,1-methyl-4-imidazolic acid,ksc237q3j,1-methyl-4-imidazolecarboxylic acid,1-methyl-1h-4carboxylic acid |
| IUPAC Name | 1-methylimidazole-4-carboxylic acid |
| InChI Key | WZTRQGJMMHMFGH-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O2 |
N-Methyl Paroxetine 98.0+%, TCI America™
CAS: 110429-36-2 Molecular Formula: C20H22FNO3 Molecular Weight (g/mol): 343.40 MDL Number: MFCD03788781 InChI Key: MOJZPKOBKCXNKG-UHFFFAOYNA-N PubChem CID: 10947895 IUPAC Name: 3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-methylpiperidine SMILES: CN1CCC(C(COC2=CC3=C(OCO3)C=C2)C1)C1=CC=C(F)C=C1
| PubChem CID | 10947895 |
|---|---|
| CAS | 110429-36-2 |
| Molecular Weight (g/mol) | 343.40 |
| MDL Number | MFCD03788781 |
| SMILES | CN1CCC(C(COC2=CC3=C(OCO3)C=C2)C1)C1=CC=C(F)C=C1 |
| IUPAC Name | 3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-methylpiperidine |
| InChI Key | MOJZPKOBKCXNKG-UHFFFAOYNA-N |
| Molecular Formula | C20H22FNO3 |
2-Methylthiazole-5-carboxylic Acid 98.0+%, TCI America™
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 |
6-Methyl-1,3-benzoxazole-2(3H)-thione 98.0+%, TCI America™
CAS: 23417-29-0 Molecular Formula: C8H7NOS Molecular Weight (g/mol): 165.21 MDL Number: MFCD00087075,MFCD00175644 InChI Key: NUMDWMDMUXZMHA-UHFFFAOYSA-N Synonym: 6-Methyl-1,3-benzoxazole-2-thiol PubChem CID: 963501 IUPAC Name: 6-methyl-2,3-dihydro-1,3-benzoxazole-2-thione SMILES: CC1=CC=C2NC(=S)OC2=C1
| PubChem CID | 963501 |
|---|---|
| CAS | 23417-29-0 |
| Molecular Weight (g/mol) | 165.21 |
| MDL Number | MFCD00087075,MFCD00175644 |
| SMILES | CC1=CC=C2NC(=S)OC2=C1 |
| Synonym | 6-Methyl-1,3-benzoxazole-2-thiol |
| IUPAC Name | 6-methyl-2,3-dihydro-1,3-benzoxazole-2-thione |
| InChI Key | NUMDWMDMUXZMHA-UHFFFAOYSA-N |
| Molecular Formula | C8H7NOS |
4-Methyloxazole-5-carboxylic Acid 98.0+%, TCI America™
CAS: 2510-32-9 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD01571070 InChI Key: ZIXUNDOOBLSXPE-UHFFFAOYSA-N Synonym: 4-methyloxazole-5-carboxylic acid,4-methyl-5-oxazolecarboxylic acid,5-oxazolecarboxylic acid, 4-methyl,4-methyl-oxazole-5-carboxylic acid,ksc205g3h,4-methyl-5-oxazolecarboxylicacid,4-methyl-oxazol-5-carboxylic acid,4-methoxyoxazole-5-carboxylic acid,5-oxazolecarboxylicacid, 4-methyl PubChem CID: 292311 IUPAC Name: 4-methyl-1,3-oxazole-5-carboxylic acid SMILES: CC1=C(OC=N1)C(=O)O
| PubChem CID | 292311 |
|---|---|
| CAS | 2510-32-9 |
| Molecular Weight (g/mol) | 127.099 |
| MDL Number | MFCD01571070 |
| SMILES | CC1=C(OC=N1)C(=O)O |
| Synonym | 4-methyloxazole-5-carboxylic acid,4-methyl-5-oxazolecarboxylic acid,5-oxazolecarboxylic acid, 4-methyl,4-methyl-oxazole-5-carboxylic acid,ksc205g3h,4-methyl-5-oxazolecarboxylicacid,4-methyl-oxazol-5-carboxylic acid,4-methoxyoxazole-5-carboxylic acid,5-oxazolecarboxylicacid, 4-methyl |
| IUPAC Name | 4-methyl-1,3-oxazole-5-carboxylic acid |
| InChI Key | ZIXUNDOOBLSXPE-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO3 |
Methyl 2-Bromothiazole-5-carboxylate 95.0+%, TCI America™
CAS: 54045-74-8 Molecular Formula: C5H4BrNO2S Molecular Weight (g/mol): 222.056 MDL Number: MFCD03788565 InChI Key: HNLVIKMXFBRZDF-UHFFFAOYSA-N Synonym: methyl 2-bromothiazole-5-carboxylate,methyl 2-bromo-5-thiazole carboxylate,methyl2-bromothiazole-5-carboxylate,5-thiazolecarboxylic acid, 2-bromo-, methyl ester,2-bromo-thiazole-5-carboxylic acid methyl ester,2-bromothiazole-5-carboxylic acid methyl ester,2-bromo-1,3-thiazole-5-carboxylic acid methyl ester,pubchem17197,acmc-1apjm,ksc494s7p PubChem CID: 2773502 IUPAC Name: methyl 2-bromo-1,3-thiazole-5-carboxylate SMILES: COC(=O)C1=CN=C(S1)Br
| PubChem CID | 2773502 |
|---|---|
| CAS | 54045-74-8 |
| Molecular Weight (g/mol) | 222.056 |
| MDL Number | MFCD03788565 |
| SMILES | COC(=O)C1=CN=C(S1)Br |
| Synonym | methyl 2-bromothiazole-5-carboxylate,methyl 2-bromo-5-thiazole carboxylate,methyl2-bromothiazole-5-carboxylate,5-thiazolecarboxylic acid, 2-bromo-, methyl ester,2-bromo-thiazole-5-carboxylic acid methyl ester,2-bromothiazole-5-carboxylic acid methyl ester,2-bromo-1,3-thiazole-5-carboxylic acid methyl ester,pubchem17197,acmc-1apjm,ksc494s7p |
| IUPAC Name | methyl 2-bromo-1,3-thiazole-5-carboxylate |
| InChI Key | HNLVIKMXFBRZDF-UHFFFAOYSA-N |
| Molecular Formula | C5H4BrNO2S |
1-Methyl-3-n-octylimidazolium Bis(trifluoromethanesulfonyl)imide 97.0+%, TCI America™
CAS: 178631-04-4 Molecular Formula: C14H23F6N3O4S2 Molecular Weight (g/mol): 475.465 MDL Number: MFCD08458946 InChI Key: LECQXINNQGHJBM-UHFFFAOYSA-N Synonym: 1-methyl-3-octylimidazolium bis trifluoromethylsulfonyl imide,dsstox_cid_27931,dsstox_rid_82684,dsstox_gsid_47955,1-octyl-3-methylimidazolium; bistriflylimide anion,1-n-octyl-3-methylimidazolium bis trifluoromethylsulfonyl imide,1-octyl-3-methylimidazolium bis trifluoromethylsulfonyl imide,1-methyl-3-n-octylimidazolium bis trifluoromethanesulfonyl imide PubChem CID: 12184591 IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octylimidazol-1-ium SMILES: CCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
| PubChem CID | 12184591 |
|---|---|
| CAS | 178631-04-4 |
| Molecular Weight (g/mol) | 475.465 |
| MDL Number | MFCD08458946 |
| SMILES | CCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F |
| Synonym | 1-methyl-3-octylimidazolium bis trifluoromethylsulfonyl imide,dsstox_cid_27931,dsstox_rid_82684,dsstox_gsid_47955,1-octyl-3-methylimidazolium; bistriflylimide anion,1-n-octyl-3-methylimidazolium bis trifluoromethylsulfonyl imide,1-octyl-3-methylimidazolium bis trifluoromethylsulfonyl imide,1-methyl-3-n-octylimidazolium bis trifluoromethanesulfonyl imide |
| IUPAC Name | bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octylimidazol-1-ium |
| InChI Key | LECQXINNQGHJBM-UHFFFAOYSA-N |
| Molecular Formula | C14H23F6N3O4S2 |
4-Methylthiazole-5-carboxaldehyde 98.0+%, TCI America™
CAS: 82294-70-0 Molecular Formula: C5H5NOS Molecular Weight (g/mol): 127.161 MDL Number: MFCD07368277 InChI Key: JJVIEMFQPALZOZ-UHFFFAOYSA-N Synonym: 4-methylthiazole-5-carbaldehyde,4-methyl-5-thiazolecarboxaldehyde,4-methylthiazole-5-carboxaldehyde,4-methyl-5-formylthiazole,4-methyl-5-thiazolecarbaldehyde,5-formyl-4-methylthiazole,4-methylthiazole-5-aldehyde,4-methyl-5-thiazolyl aldehyde,5-thiazolecarboxaldehyde, 4-methyl,4-methyl-5-thiazole carboxaldehyde PubChem CID: 581339 IUPAC Name: 4-methyl-1,3-thiazole-5-carbaldehyde SMILES: CC1=C(SC=N1)C=O
| PubChem CID | 581339 |
|---|---|
| CAS | 82294-70-0 |
| Molecular Weight (g/mol) | 127.161 |
| MDL Number | MFCD07368277 |
| SMILES | CC1=C(SC=N1)C=O |
| Synonym | 4-methylthiazole-5-carbaldehyde,4-methyl-5-thiazolecarboxaldehyde,4-methylthiazole-5-carboxaldehyde,4-methyl-5-formylthiazole,4-methyl-5-thiazolecarbaldehyde,5-formyl-4-methylthiazole,4-methylthiazole-5-aldehyde,4-methyl-5-thiazolyl aldehyde,5-thiazolecarboxaldehyde, 4-methyl,4-methyl-5-thiazole carboxaldehyde |
| IUPAC Name | 4-methyl-1,3-thiazole-5-carbaldehyde |
| InChI Key | JJVIEMFQPALZOZ-UHFFFAOYSA-N |
| Molecular Formula | C5H5NOS |
1-Methyl-1H-imidazole-4,5-dicarboxylic Acid 97.0+%, TCI America™
CAS: 19485-38-2 Molecular Formula: C6H4N2O4 Molecular Weight (g/mol): 168.11 MDL Number: MFCD01552045 InChI Key: YARDQACXPOQDMO-UHFFFAOYSA-L Synonym: 4,5-Dicarboxy-1-methyl-1H-imidazole PubChem CID: 152258 IUPAC Name: 1-methyl-1H-imidazole-4,5-dicarboxylate SMILES: CN1C=NC(C([O-])=O)=C1C([O-])=O
| PubChem CID | 152258 |
|---|---|
| CAS | 19485-38-2 |
| Molecular Weight (g/mol) | 168.11 |
| MDL Number | MFCD01552045 |
| SMILES | CN1C=NC(C([O-])=O)=C1C([O-])=O |
| Synonym | 4,5-Dicarboxy-1-methyl-1H-imidazole |
| IUPAC Name | 1-methyl-1H-imidazole-4,5-dicarboxylate |
| InChI Key | YARDQACXPOQDMO-UHFFFAOYSA-L |
| Molecular Formula | C6H4N2O4 |
Methyl 2-Aminoisonicotinate 98.0+%, TCI America™
CAS: 6937-03-7 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD04039316 InChI Key: SVWWNEYBEFASMP-UHFFFAOYSA-N Synonym: methyl 2-aminoisonicotinate,2-aminopyridine-4-carboxylic acid methyl ester,2-aminoisonicotinic acid methyl ester,4-methoxycarbonyl pyridin-2-amine,4-pyridinecarboxylic acid, 2-amino-, methyl ester,methyl 2-amino-4-pyridinecarboxylate,methyl-2-aminopyridine-4-carboxylate,2-amino-4-pyridinecarboxylic acid methylester,2-amino-4-pyridinecarboxylic acid methyl ester,methyl-2-aminoisonicotinat PubChem CID: 236984 IUPAC Name: methyl 2-aminopyridine-4-carboxylate SMILES: COC(=O)C1=CC(=NC=C1)N
| PubChem CID | 236984 |
|---|---|
| CAS | 6937-03-7 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD04039316 |
| SMILES | COC(=O)C1=CC(=NC=C1)N |
| Synonym | methyl 2-aminoisonicotinate,2-aminopyridine-4-carboxylic acid methyl ester,2-aminoisonicotinic acid methyl ester,4-methoxycarbonyl pyridin-2-amine,4-pyridinecarboxylic acid, 2-amino-, methyl ester,methyl 2-amino-4-pyridinecarboxylate,methyl-2-aminopyridine-4-carboxylate,2-amino-4-pyridinecarboxylic acid methylester,2-amino-4-pyridinecarboxylic acid methyl ester,methyl-2-aminoisonicotinat |
| IUPAC Name | methyl 2-aminopyridine-4-carboxylate |
| InChI Key | SVWWNEYBEFASMP-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
2-Fluoro-1-methylpyridinium p-Toluenesulfonate 98.0+%, TCI America™
CAS: 58086-67-2 Molecular Formula: C13H14FNO3S Molecular Weight (g/mol): 283.317 MDL Number: MFCD00011983 InChI Key: HQWDKLAIDBOLFE-UHFFFAOYSA-M Synonym: 2-fluoro-1-methylpyridinium p-toluenesulfonate,2-fluoro-1-methylpyridin-1-ium 4-methylbenzenesulfonate,2-fluoro-1-methylpyridinium,mukaiyama's reagent,2-fluoro-1-methylpyridinium 4-toluenesulfonate,2-fluoro-1-methylpyridinium p-toluenesulphonate,2-fluoro-n-methylpyridinium toluene-4-sulfonate,2-fluoro-1-methylpyridin-1-ium tosylate,2-fluoro-n-methylpyridiniumtoluene-4-sulphonate,2-fluoro-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate PubChem CID: 171631 IUPAC Name: 2-fluoro-1-methylpyridin-1-ium;4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1F
| PubChem CID | 171631 |
|---|---|
| CAS | 58086-67-2 |
| Molecular Weight (g/mol) | 283.317 |
| MDL Number | MFCD00011983 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1F |
| Synonym | 2-fluoro-1-methylpyridinium p-toluenesulfonate,2-fluoro-1-methylpyridin-1-ium 4-methylbenzenesulfonate,2-fluoro-1-methylpyridinium,mukaiyama's reagent,2-fluoro-1-methylpyridinium 4-toluenesulfonate,2-fluoro-1-methylpyridinium p-toluenesulphonate,2-fluoro-n-methylpyridinium toluene-4-sulfonate,2-fluoro-1-methylpyridin-1-ium tosylate,2-fluoro-n-methylpyridiniumtoluene-4-sulphonate,2-fluoro-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate |
| IUPAC Name | 2-fluoro-1-methylpyridin-1-ium;4-methylbenzenesulfonate |
| InChI Key | HQWDKLAIDBOLFE-UHFFFAOYSA-M |
| Molecular Formula | C13H14FNO3S |
4-(2-Furyl)-3-buten-2-one 98.0+%, TCI America™
CAS: 623-15-4 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00039566 InChI Key: GBKGJMYPQZODMI-SNAWJCMRSA-N Synonym: furfurylideneacetone,4-2-furyl-3-buten-2-one,3-buten-2-one, 4-2-furanyl,fam polymer,oramin r,furfural acetone,oramin special gr,furfuralacetone polymer,polyfurfurylidineacetone,furfuralacetone PubChem CID: 735940 IUPAC Name: (E)-4-(furan-2-yl)but-3-en-2-one SMILES: CC(=O)C=CC1=CC=CO1
| PubChem CID | 735940 |
|---|---|
| CAS | 623-15-4 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00039566 |
| SMILES | CC(=O)C=CC1=CC=CO1 |
| Synonym | furfurylideneacetone,4-2-furyl-3-buten-2-one,3-buten-2-one, 4-2-furanyl,fam polymer,oramin r,furfural acetone,oramin special gr,furfuralacetone polymer,polyfurfurylidineacetone,furfuralacetone |
| IUPAC Name | (E)-4-(furan-2-yl)but-3-en-2-one |
| InChI Key | GBKGJMYPQZODMI-SNAWJCMRSA-N |
| Molecular Formula | C8H8O2 |
1-Methylbenzimidazole 98.0+%, TCI America™
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-methyl-1H-1,3-benzodiazole 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-methyl-1H-1,3-benzodiazole |
| InChI Key | FGYADSCZTQOAFK-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2 |
Methyl 2-Chloronicotinate 98.0+%, TCI America™
CAS: 40134-18-7 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD01318629 InChI Key: MYGAJZBZLONIBZ-UHFFFAOYSA-N PubChem CID: 819931 IUPAC Name: methyl 2-chloropyridine-3-carboxylate SMILES: COC(=O)C1=CC=CN=C1Cl
| PubChem CID | 819931 |
|---|---|
| CAS | 40134-18-7 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD01318629 |
| SMILES | COC(=O)C1=CC=CN=C1Cl |
| IUPAC Name | methyl 2-chloropyridine-3-carboxylate |
| InChI Key | MYGAJZBZLONIBZ-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |