Organoheterocyclic compounds
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Ethyl imidazole-4-carboxylate, 98%
CAS: 23785-21-9 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD02646639,MFCD07363812 InChI Key: KLWYPRNPRNPORS-UHFFFAOYSA-N Synonym: ethyl 1h-imidazole-4-carboxylate,ethyl imidazole-4-carboxylate,ethyl 4-imidazolecarboxylate,ethyl 4 5-imidazolecarboxylate,4-carbethoxyimidazole,1h-imidazole-4-carboxylic acid ethyl ester,nic7lr0zon,unii-nic7lr0zon,imidazole-4-carboxylic acid ethyl ester,1h-imidazole-4-carboxylic acid, ethyl ester PubChem CID: 99170 IUPAC Name: ethyl 1H-imidazole-5-carboxylate SMILES: CCOC(=O)C1=CN=CN1
| PubChem CID | 99170 |
|---|---|
| CAS | 23785-21-9 |
| Molecular Weight (g/mol) | 140.14 |
| MDL Number | MFCD02646639,MFCD07363812 |
| SMILES | CCOC(=O)C1=CN=CN1 |
| Synonym | ethyl 1h-imidazole-4-carboxylate,ethyl imidazole-4-carboxylate,ethyl 4-imidazolecarboxylate,ethyl 4 5-imidazolecarboxylate,4-carbethoxyimidazole,1h-imidazole-4-carboxylic acid ethyl ester,nic7lr0zon,unii-nic7lr0zon,imidazole-4-carboxylic acid ethyl ester,1h-imidazole-4-carboxylic acid, ethyl ester |
| IUPAC Name | ethyl 1H-imidazole-5-carboxylate |
| InChI Key | KLWYPRNPRNPORS-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
2,5-Diiodo-1-methylimidazole, 98%, Thermo Scientific Chemicals
CAS: 86026-81-5 Molecular Formula: C4H4I2N2 Molecular Weight (g/mol): 333.899 MDL Number: MFCD02179540 InChI Key: SZYKHAFVWJNSQU-UHFFFAOYSA-N PubChem CID: 335838 IUPAC Name: 2,5-diiodo-1-methylimidazole SMILES: CN1C(=CN=C1I)I
| PubChem CID | 335838 |
|---|---|
| CAS | 86026-81-5 |
| Molecular Weight (g/mol) | 333.899 |
| MDL Number | MFCD02179540 |
| SMILES | CN1C(=CN=C1I)I |
| IUPAC Name | 2,5-diiodo-1-methylimidazole |
| InChI Key | SZYKHAFVWJNSQU-UHFFFAOYSA-N |
| Molecular Formula | C4H4I2N2 |
2-Chloro-5-nitroimidazole, 95%
CAS: 57531-37-0 Molecular Formula: C3H2ClN3O2 Molecular Weight (g/mol): 147.518 MDL Number: MFCD08705680 InChI Key: BOJZBRDIZUHTCE-UHFFFAOYSA-N Synonym: 2-chloro-4-nitroimidazole,2-chloro-4-nitro-1h-imidazole,2-chloro-5-nitroimidazole,1h-imidazole, 2-chloro-4-nitro,2-chloro-4-nitro-3h-imidazole,nitrochloroimidazole,acmc-1ayku,2-chloro-4-nitrroimidazole,ksc490o8f PubChem CID: 42409 IUPAC Name: 2-chloro-5-nitro-1H-imidazole SMILES: C1=C(NC(=N1)Cl)[N+](=O)[O-]
| PubChem CID | 42409 |
|---|---|
| CAS | 57531-37-0 |
| Molecular Weight (g/mol) | 147.518 |
| MDL Number | MFCD08705680 |
| SMILES | C1=C(NC(=N1)Cl)[N+](=O)[O-] |
| Synonym | 2-chloro-4-nitroimidazole,2-chloro-4-nitro-1h-imidazole,2-chloro-5-nitroimidazole,1h-imidazole, 2-chloro-4-nitro,2-chloro-4-nitro-3h-imidazole,nitrochloroimidazole,acmc-1ayku,2-chloro-4-nitrroimidazole,ksc490o8f |
| IUPAC Name | 2-chloro-5-nitro-1H-imidazole |
| InChI Key | BOJZBRDIZUHTCE-UHFFFAOYSA-N |
| Molecular Formula | C3H2ClN3O2 |
3H-1,2-Benzodithiol-one 1,1-dioxide, 98%
CAS: 66304-01-6 Molecular Formula: C7H4O3S2 Molecular Weight (g/mol): 200.226 MDL Number: MFCD00132960 InChI Key: JUDOLRSMWHVKGX-UHFFFAOYSA-N PubChem CID: 3009847 IUPAC Name: 1,1-dioxo-1$l^{6},2-benzodithiol-3-one SMILES: C1=CC=C2C(=C1)C(=O)SS2(=O)=O
| PubChem CID | 3009847 |
|---|---|
| CAS | 66304-01-6 |
| Molecular Weight (g/mol) | 200.226 |
| MDL Number | MFCD00132960 |
| SMILES | C1=CC=C2C(=C1)C(=O)SS2(=O)=O |
| IUPAC Name | 1,1-dioxo-1$l^{6},2-benzodithiol-3-one |
| InChI Key | JUDOLRSMWHVKGX-UHFFFAOYSA-N |
| Molecular Formula | C7H4O3S2 |
Tetrathiafulvalene 7,7,8,8-tetracyanoquinodimethane salt, ≥97.0% (CHNS), MilliporeSigma™ Supelco™
MDL Number: MFCD10566936 Synonym: 7,7,8,8-Tetracyanoquinodimethane Tetrathiafulvalene salt; TCNQ-TTF; TTF-TCNQ
| MDL Number | MFCD10566936 |
|---|---|
| Synonym | 7,7,8,8-Tetracyanoquinodimethane Tetrathiafulvalene salt; TCNQ-TTF; TTF-TCNQ |
Ethyl 1,3-dithiane-2-carboxylate, 98+%
CAS: 20462-00-4 Molecular Formula: C7H12O2S2 Molecular Weight (g/mol): 192.291 MDL Number: MFCD00006657 InChI Key: ANEDZEVDORCLPM-UHFFFAOYSA-N Synonym: 1,3-dithiane-2-carboxylic acid ethyl ester,carboethoxy-1,3-dithiane,2-carboethoxy-1,3-dithiane,1,3-dithiane-2-carboxylic acid, ethyl ester,1,3 dithiane-2-carboxylic acid ethyl ester,pubchem22055,acmc-1cpb7,2-carboethoxy 1,3-dithiane,2-ethoxycarbonyl-1,3-dithiane,ethyl 1,3 dithiane carboxylate PubChem CID: 88552 IUPAC Name: ethyl 1,3-dithiane-2-carboxylate SMILES: CCOC(=O)C1SCCCS1
| PubChem CID | 88552 |
|---|---|
| CAS | 20462-00-4 |
| Molecular Weight (g/mol) | 192.291 |
| MDL Number | MFCD00006657 |
| SMILES | CCOC(=O)C1SCCCS1 |
| Synonym | 1,3-dithiane-2-carboxylic acid ethyl ester,carboethoxy-1,3-dithiane,2-carboethoxy-1,3-dithiane,1,3-dithiane-2-carboxylic acid, ethyl ester,1,3 dithiane-2-carboxylic acid ethyl ester,pubchem22055,acmc-1cpb7,2-carboethoxy 1,3-dithiane,2-ethoxycarbonyl-1,3-dithiane,ethyl 1,3 dithiane carboxylate |
| IUPAC Name | ethyl 1,3-dithiane-2-carboxylate |
| InChI Key | ANEDZEVDORCLPM-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2S2 |
2-Methyl-1,3-dithiane, 98%
CAS: 6007-26-7 Molecular Formula: C5H10S2 Molecular Weight (g/mol): 134.255 MDL Number: MFCD00014652 InChI Key: KXROTPXCYDXGSC-UHFFFAOYSA-N Synonym: 1,3-dithiane, 2-methyl,m-dithiane, 2-methyl,2-methyl-m-dithiane,methyl-2 dithiane-1,3,methyl-2 dithiane-1,3 french,acmc-20anrf,2-methyl-1,3-dithian,2-methyl-1,3 dithiane,5-19-01-00053 beilstein handbook reference,2-methyl-1,3-dithiane PubChem CID: 22329 IUPAC Name: 2-methyl-1,3-dithiane SMILES: CC1SCCCS1
| PubChem CID | 22329 |
|---|---|
| CAS | 6007-26-7 |
| Molecular Weight (g/mol) | 134.255 |
| MDL Number | MFCD00014652 |
| SMILES | CC1SCCCS1 |
| Synonym | 1,3-dithiane, 2-methyl,m-dithiane, 2-methyl,2-methyl-m-dithiane,methyl-2 dithiane-1,3,methyl-2 dithiane-1,3 french,acmc-20anrf,2-methyl-1,3-dithian,2-methyl-1,3 dithiane,5-19-01-00053 beilstein handbook reference,2-methyl-1,3-dithiane |
| IUPAC Name | 2-methyl-1,3-dithiane |
| InChI Key | KXROTPXCYDXGSC-UHFFFAOYSA-N |
| Molecular Formula | C5H10S2 |
1,3-Dithiane, 97%
CAS: 505-23-7 Molecular Formula: C4H8S2 Molecular Weight (g/mol): 120.23 MDL Number: MFCD00006654 InChI Key: WQADWIOXOXRPLN-UHFFFAOYSA-N Synonym: 1,3-dithiacyclohexane,m-dithiane,dithiane-1,3,1,3-dithian,dithiane-1,3 french,1,3 dithiane,ccris 6777,m-dithiane, 8ci,1,3 dithiocyclohexane,acmc-209knk PubChem CID: 10451 ChEBI: CHEBI:47845 IUPAC Name: 1,3-dithiane SMILES: C1CSCSC1
| PubChem CID | 10451 |
|---|---|
| CAS | 505-23-7 |
| Molecular Weight (g/mol) | 120.23 |
| ChEBI | CHEBI:47845 |
| MDL Number | MFCD00006654 |
| SMILES | C1CSCSC1 |
| Synonym | 1,3-dithiacyclohexane,m-dithiane,dithiane-1,3,1,3-dithian,dithiane-1,3 french,1,3 dithiane,ccris 6777,m-dithiane, 8ci,1,3 dithiocyclohexane,acmc-209knk |
| IUPAC Name | 1,3-dithiane |
| InChI Key | WQADWIOXOXRPLN-UHFFFAOYSA-N |
| Molecular Formula | C4H8S2 |
2,2-Dimethyl-3,4-dihydro-2H-1,4-benzoxazine, 97%
CAS: 866089-28-3 Molecular Formula: C10H13NO Molecular Weight (g/mol): 163.22 MDL Number: MFCD11603419 InChI Key: WILBVUMFTFLAHJ-UHFFFAOYSA-N Synonym: 2,2-dimethyl-3,4-dihydro-2h-1,4-benzoxazine,2,2-dimethyl-3,4-dihydro-2h-benzo b 1,4 oxazine,2h-1,4-benzoxazine,3,4-dihydro-2,2-dimethyl,2,2-dimethyl-3,4-dihydro-2h-benzo 1,4 oxazine,2h-1,4-benzoxazine, 3,4-dihydro-2,2-dimethyl PubChem CID: 23587101 IUPAC Name: 2,2-dimethyl-3,4-dihydro-1,4-benzoxazine SMILES: CC1(CNC2=CC=CC=C2O1)C
| PubChem CID | 23587101 |
|---|---|
| CAS | 866089-28-3 |
| Molecular Weight (g/mol) | 163.22 |
| MDL Number | MFCD11603419 |
| SMILES | CC1(CNC2=CC=CC=C2O1)C |
| Synonym | 2,2-dimethyl-3,4-dihydro-2h-1,4-benzoxazine,2,2-dimethyl-3,4-dihydro-2h-benzo b 1,4 oxazine,2h-1,4-benzoxazine,3,4-dihydro-2,2-dimethyl,2,2-dimethyl-3,4-dihydro-2h-benzo 1,4 oxazine,2h-1,4-benzoxazine, 3,4-dihydro-2,2-dimethyl |
| IUPAC Name | 2,2-dimethyl-3,4-dihydro-1,4-benzoxazine |
| InChI Key | WILBVUMFTFLAHJ-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO |
2-(4-Chlorophenyl)-2-methylmorpholine, 99%, Thermo Scientific Chemicals
CAS: 109461-44-1 Molecular Formula: C11H14ClNO Molecular Weight (g/mol): 211.689 MDL Number: MFCD08061115 InChI Key: IJDDASQRAPIORY-UHFFFAOYSA-N Synonym: 2-4-chlorophenyl-2-methylmorpholine,2-4-chloro-phenyl-2-methyl-morpholine,acmc-1c8s6,morpholine,2-4-chlorophenyl-2-methyl PubChem CID: 3066043 IUPAC Name: 2-(4-chlorophenyl)-2-methylmorpholine SMILES: CC1(CNCCO1)C2=CC=C(C=C2)Cl
| PubChem CID | 3066043 |
|---|---|
| CAS | 109461-44-1 |
| Molecular Weight (g/mol) | 211.689 |
| MDL Number | MFCD08061115 |
| SMILES | CC1(CNCCO1)C2=CC=C(C=C2)Cl |
| Synonym | 2-4-chlorophenyl-2-methylmorpholine,2-4-chloro-phenyl-2-methyl-morpholine,acmc-1c8s6,morpholine,2-4-chlorophenyl-2-methyl |
| IUPAC Name | 2-(4-chlorophenyl)-2-methylmorpholine |
| InChI Key | IJDDASQRAPIORY-UHFFFAOYSA-N |
| Molecular Formula | C11H14ClNO |
Benzyl (2R,3S)-(-)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate, 98%
CAS: 100516-54-9 Molecular Formula: C24H21NO4 Molecular Weight (g/mol): 387.44 MDL Number: MFCD00074958 InChI Key: HECRUWTZAMPQOS-UHFFFAOYNA-N Synonym: 2r,3s-benzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate,benzyl 2r,3s---6-oxo-2,3-diphenyl-4-morpholinecarboxylate,benzyl 2r,3s-6-oxo-2,3-diphenylmorpholine-4-carboxylate,2r,3s-n-cbz-6-oxo-2,3-diphenylmorpholine,2r,3s---n-z-6-oxo-2,3-diphenylmorpholine,benzyl 2r,3s-6-oxo-2,3-diphenyl-4-morpholinecarboxylate,pubchem18045,2r,3s-6-oxo-2,3-diphenyl-4-morpholinecarboxylate PubChem CID: 981238 IUPAC Name: benzyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate SMILES: O=C(OCC1=CC=CC=C1)N1CC(=O)OC(C1C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 981238 |
|---|---|
| CAS | 100516-54-9 |
| Molecular Weight (g/mol) | 387.44 |
| MDL Number | MFCD00074958 |
| SMILES | O=C(OCC1=CC=CC=C1)N1CC(=O)OC(C1C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2r,3s-benzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate,benzyl 2r,3s---6-oxo-2,3-diphenyl-4-morpholinecarboxylate,benzyl 2r,3s-6-oxo-2,3-diphenylmorpholine-4-carboxylate,2r,3s-n-cbz-6-oxo-2,3-diphenylmorpholine,2r,3s---n-z-6-oxo-2,3-diphenylmorpholine,benzyl 2r,3s-6-oxo-2,3-diphenyl-4-morpholinecarboxylate,pubchem18045,2r,3s-6-oxo-2,3-diphenyl-4-morpholinecarboxylate |
| IUPAC Name | benzyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate |
| InChI Key | HECRUWTZAMPQOS-UHFFFAOYNA-N |
| Molecular Formula | C24H21NO4 |
2-Morpholino-5-(trifluoromethyl)benzaldehyde, 97%, Thermo Scientific™
CAS: 886851-50-9 Molecular Formula: C12H12F3NO2 Molecular Weight (g/mol): 259.23 MDL Number: MFCD09025884 InChI Key: DIQGXZKPOSSQDH-UHFFFAOYSA-N Synonym: 2-morpholino-5-trifluoromethyl benzaldehyde,2-morpholin-4-yl-5-trifluoromethyl benzaldehyde,benzaldehyde,2-4-morpholinyl-5-trifluoromethyl PubChem CID: 18525882 IUPAC Name: 2-morpholin-4-yl-5-(trifluoromethyl)benzaldehyde SMILES: FC(F)(F)C1=CC(C=O)=C(C=C1)N1CCOCC1
| PubChem CID | 18525882 |
|---|---|
| CAS | 886851-50-9 |
| Molecular Weight (g/mol) | 259.23 |
| MDL Number | MFCD09025884 |
| SMILES | FC(F)(F)C1=CC(C=O)=C(C=C1)N1CCOCC1 |
| Synonym | 2-morpholino-5-trifluoromethyl benzaldehyde,2-morpholin-4-yl-5-trifluoromethyl benzaldehyde,benzaldehyde,2-4-morpholinyl-5-trifluoromethyl |
| IUPAC Name | 2-morpholin-4-yl-5-(trifluoromethyl)benzaldehyde |
| InChI Key | DIQGXZKPOSSQDH-UHFFFAOYSA-N |
| Molecular Formula | C12H12F3NO2 |
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 |
3-Amino-5-bromo-1H-indazole, 97%, Thermo Scientific Chemicals
CAS: 61272-71-7 Molecular Formula: C7H6BrN3 Molecular Weight (g/mol): 212.05 MDL Number: MFCD03426696 InChI Key: OMPYFDJVSAMSMA-UHFFFAOYSA-N Synonym: 3-amino-5-bromo-1h-indazole,3-amino-5-bromoindazole,5-bromo-1h-indazol-3-ylamine,1h-indazol-3-amine, 5-bromo,5-bromo-1h-indazole-3-ylamine,pubchem18573,3-amino-5-bromo-indazole,acmc-1b3h9,5-bromo-1h-indazole-3-amine PubChem CID: 817910 IUPAC Name: 5-bromo-1H-indazol-3-amine SMILES: NC1=NNC2=CC=C(Br)C=C12
| PubChem CID | 817910 |
|---|---|
| CAS | 61272-71-7 |
| Molecular Weight (g/mol) | 212.05 |
| MDL Number | MFCD03426696 |
| SMILES | NC1=NNC2=CC=C(Br)C=C12 |
| Synonym | 3-amino-5-bromo-1h-indazole,3-amino-5-bromoindazole,5-bromo-1h-indazol-3-ylamine,1h-indazol-3-amine, 5-bromo,5-bromo-1h-indazole-3-ylamine,pubchem18573,3-amino-5-bromo-indazole,acmc-1b3h9,5-bromo-1h-indazole-3-amine |
| IUPAC Name | 5-bromo-1H-indazol-3-amine |
| InChI Key | OMPYFDJVSAMSMA-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrN3 |
3-(Chloromethyl)-1-methyl-5-thien-2-yl-1H-pyrazole, ≥97%, Thermo Scientific™
CAS: 876316-61-9 Molecular Formula: C9H9ClN2S Molecular Weight (g/mol): 212.70 MDL Number: MFCD08435883 InChI Key: ODLZAEGCJDMPOT-UHFFFAOYSA-N Synonym: 3-chloromethyl-1-methyl-5-thien-2-yl-1h-pyrazole,3-chloromethyl-1-methyl-5-thiophen-2-yl pyrazole,1h-pyrazole,3-chloromethyl-1-methyl-5-2-thienyl,3-chloromethyl-1-methyl-5-thiophen-2-yl-1h-pyrazole,2-3-chloromethyl-1-methylpyrazol-5-yl thiophene PubChem CID: 18525807 IUPAC Name: 3-(chloromethyl)-1-methyl-5-thiophen-2-ylpyrazole SMILES: CN1N=C(CCl)C=C1C1=CC=CS1
| PubChem CID | 18525807 |
|---|---|
| CAS | 876316-61-9 |
| Molecular Weight (g/mol) | 212.70 |
| MDL Number | MFCD08435883 |
| SMILES | CN1N=C(CCl)C=C1C1=CC=CS1 |
| Synonym | 3-chloromethyl-1-methyl-5-thien-2-yl-1h-pyrazole,3-chloromethyl-1-methyl-5-thiophen-2-yl pyrazole,1h-pyrazole,3-chloromethyl-1-methyl-5-2-thienyl,3-chloromethyl-1-methyl-5-thiophen-2-yl-1h-pyrazole,2-3-chloromethyl-1-methylpyrazol-5-yl thiophene |
| IUPAC Name | 3-(chloromethyl)-1-methyl-5-thiophen-2-ylpyrazole |
| InChI Key | ODLZAEGCJDMPOT-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClN2S |