Organoheterocyclic compounds
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2-Amino-4,6-dihydroxypyrimidine, 98%
CAS: 56-09-7 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.10 MDL Number: MFCD00006094 InChI Key: AUFJTVGCSJNQIF-UHFFFAOYSA-N Synonym: 2-amino-4,6-dihydroxypyrimidine,2-aminopyrimidine-4,6-diol,4 1h-pyrimidinone, 2-amino-6-hydroxy,2-amino-6-hydroxypyrimidin-4 3h-one,2-amino-4,6-dioxypyrimidine,2-amino-4,6-pyrimidinedione,4,6-dihydroxy-2-aminopyrimidine,2-amino-4,6-pyrimidinediol,2-amino-6-hydroxy-1h-pyrimidin-4-one,2-amino-6-hydroxy-4 1h-pyrimidinone PubChem CID: 66131 IUPAC Name: 2-amino-4-hydroxy-1H-pyrimidin-6-one SMILES: NC1=NC(O)=CC(=O)N1
| PubChem CID | 66131 |
|---|---|
| CAS | 56-09-7 |
| Molecular Weight (g/mol) | 127.10 |
| MDL Number | MFCD00006094 |
| SMILES | NC1=NC(O)=CC(=O)N1 |
| Synonym | 2-amino-4,6-dihydroxypyrimidine,2-aminopyrimidine-4,6-diol,4 1h-pyrimidinone, 2-amino-6-hydroxy,2-amino-6-hydroxypyrimidin-4 3h-one,2-amino-4,6-dioxypyrimidine,2-amino-4,6-pyrimidinedione,4,6-dihydroxy-2-aminopyrimidine,2-amino-4,6-pyrimidinediol,2-amino-6-hydroxy-1h-pyrimidin-4-one,2-amino-6-hydroxy-4 1h-pyrimidinone |
| IUPAC Name | 2-amino-4-hydroxy-1H-pyrimidin-6-one |
| InChI Key | AUFJTVGCSJNQIF-UHFFFAOYSA-N |
| Molecular Formula | C4H5N3O2 |
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 |
2-Bromo-5-(trifluoromethyl)pyridine, 96%
CAS: 50488-42-1 Molecular Formula: C6H3BrF3N Molecular Weight (g/mol): 225.996 MDL Number: MFCD00153086 InChI Key: GSKMWMFOQQBVMI-UHFFFAOYSA-N Synonym: 2-bromo-5-trifluoromethyl pyridine,6-bromo-3-trifluoromethylpyridine,2-bromo-5-trifluoromethyl-pyridine,pyridine, 2-bromo-5-trifluoromethyl,5-trifluoromethyl-2-bromopyridine,2-brom-5-trifluormethyl pyridin,2-bromo-5-trilfuoromethylpyridine,pubchem3005 PubChem CID: 2736434 IUPAC Name: 2-bromo-5-(trifluoromethyl)pyridine SMILES: C1=CC(=NC=C1C(F)(F)F)Br
| PubChem CID | 2736434 |
|---|---|
| CAS | 50488-42-1 |
| Molecular Weight (g/mol) | 225.996 |
| MDL Number | MFCD00153086 |
| SMILES | C1=CC(=NC=C1C(F)(F)F)Br |
| Synonym | 2-bromo-5-trifluoromethyl pyridine,6-bromo-3-trifluoromethylpyridine,2-bromo-5-trifluoromethyl-pyridine,pyridine, 2-bromo-5-trifluoromethyl,5-trifluoromethyl-2-bromopyridine,2-brom-5-trifluormethyl pyridin,2-bromo-5-trilfuoromethylpyridine,pubchem3005 |
| IUPAC Name | 2-bromo-5-(trifluoromethyl)pyridine |
| InChI Key | GSKMWMFOQQBVMI-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrF3N |
4-Amino-2-chloro-5-nitropyrimidine, 97%, Thermo Scientific Chemicals
CAS: 1920-66-7 Molecular Formula: C4H3ClN4O2 Molecular Weight (g/mol): 174.54 MDL Number: MFCD00127771 InChI Key: RZGOEIWDMVQJBQ-UHFFFAOYSA-N PubChem CID: 74716 IUPAC Name: 2-chloro-5-nitropyrimidin-4-amine SMILES: NC1=NC(Cl)=NC=C1[N+]([O-])=O
| PubChem CID | 74716 |
|---|---|
| CAS | 1920-66-7 |
| Molecular Weight (g/mol) | 174.54 |
| MDL Number | MFCD00127771 |
| SMILES | NC1=NC(Cl)=NC=C1[N+]([O-])=O |
| IUPAC Name | 2-chloro-5-nitropyrimidin-4-amine |
| InChI Key | RZGOEIWDMVQJBQ-UHFFFAOYSA-N |
| Molecular Formula | C4H3ClN4O2 |
5-Cyanothiophene-2-carboxaldehyde, 95%
CAS: 21512-16-3 Molecular Formula: C6H3NOS Molecular Weight (g/mol): 137.156 MDL Number: MFCD09037804 InChI Key: PZIFYWVUYHMYOA-UHFFFAOYSA-N Synonym: 5-cyano-2-thiophene carbaldehyde,5-cyano-2-thiophenecarboxaldehyde,5-cyanothiophene-2-carboxaldehyde,2-thiophenecarbonitrile, 5-formyl,5-cyano-2-thiophenecarbaldehyde,2-formyl-5-cyanothiophen,2-cyano-5-formylthiophene,2-formyl-5-cyanothiophene,2-cyano-5-formyl-thiophene,5-cyanothiophene-2-aldehyde PubChem CID: 12280004 IUPAC Name: 5-formylthiophene-2-carbonitrile SMILES: C1=C(SC(=C1)C#N)C=O
| PubChem CID | 12280004 |
|---|---|
| CAS | 21512-16-3 |
| Molecular Weight (g/mol) | 137.156 |
| MDL Number | MFCD09037804 |
| SMILES | C1=C(SC(=C1)C#N)C=O |
| Synonym | 5-cyano-2-thiophene carbaldehyde,5-cyano-2-thiophenecarboxaldehyde,5-cyanothiophene-2-carboxaldehyde,2-thiophenecarbonitrile, 5-formyl,5-cyano-2-thiophenecarbaldehyde,2-formyl-5-cyanothiophen,2-cyano-5-formylthiophene,2-formyl-5-cyanothiophene,2-cyano-5-formyl-thiophene,5-cyanothiophene-2-aldehyde |
| IUPAC Name | 5-formylthiophene-2-carbonitrile |
| InChI Key | PZIFYWVUYHMYOA-UHFFFAOYSA-N |
| Molecular Formula | C6H3NOS |
1-Methyl-1H-pyrazole-4-sulfonyl chloride, 97%
CAS: 288148-34-5 Molecular Formula: C4H5ClN2O2S Molecular Weight (g/mol): 180.606 MDL Number: MFCD04968667 InChI Key: RDAVKKQKMLINOH-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazole-4-sulfonyl chloride,1h-pyrazole-4-sulfonyl chloride, 1-methyl,chloro 1-methylpyrazol-4-yl sulfone,4-chlorosulphonyl-1-methyl-1h-pyrazole,1-methylpyrazole-4-sulfonylchloride,1-methyl-4-pyrazolesulfonyl chloride,1h-pyrazole-4-sulfonylchloride, 1-methyl,1h-pyrazole-4-sulfonylchloride,1-methyl-9ci,4-chlorosulfonyl-1-methyl-1h-pyrazole,1-methyl-1h-pyrazole-4-sulphonyl chloride PubChem CID: 17024730 IUPAC Name: 1-methylpyrazole-4-sulfonyl chloride SMILES: CN1C=C(C=N1)S(=O)(=O)Cl
| PubChem CID | 17024730 |
|---|---|
| CAS | 288148-34-5 |
| Molecular Weight (g/mol) | 180.606 |
| MDL Number | MFCD04968667 |
| SMILES | CN1C=C(C=N1)S(=O)(=O)Cl |
| Synonym | 1-methyl-1h-pyrazole-4-sulfonyl chloride,1h-pyrazole-4-sulfonyl chloride, 1-methyl,chloro 1-methylpyrazol-4-yl sulfone,4-chlorosulphonyl-1-methyl-1h-pyrazole,1-methylpyrazole-4-sulfonylchloride,1-methyl-4-pyrazolesulfonyl chloride,1h-pyrazole-4-sulfonylchloride, 1-methyl,1h-pyrazole-4-sulfonylchloride,1-methyl-9ci,4-chlorosulfonyl-1-methyl-1h-pyrazole,1-methyl-1h-pyrazole-4-sulphonyl chloride |
| IUPAC Name | 1-methylpyrazole-4-sulfonyl chloride |
| InChI Key | RDAVKKQKMLINOH-UHFFFAOYSA-N |
| Molecular Formula | C4H5ClN2O2S |
2-Amino-3-methylpyridine-5-boronic acid pinacol ester, 96%
CAS: 1111637-91-2 Molecular Formula: C12H19BN2O2 Molecular Weight (g/mol): 234.106 MDL Number: MFCD12923388 InChI Key: BWEOUBYDXFBFMA-UHFFFAOYSA-N Synonym: 3-methyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-2-amine,2-amino-3-methylpyridine-5-boronic acid pinacol ester,3-methyl-5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-2-amine,6-amino-5-methylpyridin-3-ylboronic acid pinacol ester,6-amino-5-methylpyridine-3-boronic acid pinacol ester,6-amino-5-methylpyridin-3-yl boronic acid pinacol ester,3-methyl-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridin-2-amine,3-methyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-2-pyridinamine PubChem CID: 53216772 IUPAC Name: 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)C
| PubChem CID | 53216772 |
|---|---|
| CAS | 1111637-91-2 |
| Molecular Weight (g/mol) | 234.106 |
| MDL Number | MFCD12923388 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)C |
| Synonym | 3-methyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-2-amine,2-amino-3-methylpyridine-5-boronic acid pinacol ester,3-methyl-5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-2-amine,6-amino-5-methylpyridin-3-ylboronic acid pinacol ester,6-amino-5-methylpyridine-3-boronic acid pinacol ester,6-amino-5-methylpyridin-3-yl boronic acid pinacol ester,3-methyl-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridin-2-amine,3-methyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-2-pyridinamine |
| IUPAC Name | 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine |
| InChI Key | BWEOUBYDXFBFMA-UHFFFAOYSA-N |
| Molecular Formula | C12H19BN2O2 |
2-Methoxyquinoline-6-boronic acid pinacol ester, 96%, Thermo Scientific Chemicals
CAS: 1201644-36-1 Molecular Formula: C16H20BNO3 Molecular Weight (g/mol): 285.15 MDL Number: MFCD18383956 InChI Key: DVGWZOHNHYZTKK-UHFFFAOYSA-N Synonym: 2-methoxy-6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl quinoline,2-methoxyquinoline-6-boronic acid pinacol ester PubChem CID: 58412383 IUPAC Name: 2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=C(C=C3)OC
| PubChem CID | 58412383 |
|---|---|
| CAS | 1201644-36-1 |
| Molecular Weight (g/mol) | 285.15 |
| MDL Number | MFCD18383956 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=C(C=C3)OC |
| Synonym | 2-methoxy-6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl quinoline,2-methoxyquinoline-6-boronic acid pinacol ester |
| IUPAC Name | 2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline |
| InChI Key | DVGWZOHNHYZTKK-UHFFFAOYSA-N |
| Molecular Formula | C16H20BNO3 |
Pyridine-2-carboxamide, 98%
CAS: 1452-77-3 Molecular Formula: C6H6N2O Molecular Weight (g/mol): 122.13 MDL Number: MFCD00023483 InChI Key: IBBMAWULFFBRKK-UHFFFAOYSA-N Synonym: picolinamide,2-pyridinecarboxamide,picolinoylamide,2-carbamoylpyridine,picolinic acid amide,2-picolinamide,2-aminocarbonyl-pyridine,alpha-picolinamide,pyridinecarboxamide,unii-i3550ccl59 PubChem CID: 15070 ChEBI: CHEBI:8200 IUPAC Name: pyridine-2-carboxamide SMILES: NC(=O)C1=CC=CC=N1
| PubChem CID | 15070 |
|---|---|
| CAS | 1452-77-3 |
| Molecular Weight (g/mol) | 122.13 |
| ChEBI | CHEBI:8200 |
| MDL Number | MFCD00023483 |
| SMILES | NC(=O)C1=CC=CC=N1 |
| Synonym | picolinamide,2-pyridinecarboxamide,picolinoylamide,2-carbamoylpyridine,picolinic acid amide,2-picolinamide,2-aminocarbonyl-pyridine,alpha-picolinamide,pyridinecarboxamide,unii-i3550ccl59 |
| IUPAC Name | pyridine-2-carboxamide |
| InChI Key | IBBMAWULFFBRKK-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O |
Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate, 97%
CAS: 188614-01-9 Molecular Formula: C10H9NO3S Molecular Weight (g/mol): 223.25 MDL Number: MFCD00449104 InChI Key: UFSVRHNRNVVBJR-UHFFFAOYSA-N PubChem CID: 699501 IUPAC Name: methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate SMILES: COC(=O)C1=CC2=C(SCC(=O)N2)C=C1
| PubChem CID | 699501 |
|---|---|
| CAS | 188614-01-9 |
| Molecular Weight (g/mol) | 223.25 |
| MDL Number | MFCD00449104 |
| SMILES | COC(=O)C1=CC2=C(SCC(=O)N2)C=C1 |
| IUPAC Name | methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate |
| InChI Key | UFSVRHNRNVVBJR-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO3S |
Xanthydrol, 98+%
CAS: 90-46-0 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.221 MDL Number: MFCD00005057 InChI Key: JFRMYMMIJXLMBB-UHFFFAOYSA-N Synonym: 9-hydroxyxanthene,xanthydrol,xanthanol,9-xanthydrol,xanthen-9-ol,xanthene, hydroxy,9-xanthenol,ccris 1640,unii-7131m69ikf,xanthrol PubChem CID: 72861 IUPAC Name: 9H-xanthen-9-ol SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O
| PubChem CID | 72861 |
|---|---|
| CAS | 90-46-0 |
| Molecular Weight (g/mol) | 198.221 |
| MDL Number | MFCD00005057 |
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O |
| Synonym | 9-hydroxyxanthene,xanthydrol,xanthanol,9-xanthydrol,xanthen-9-ol,xanthene, hydroxy,9-xanthenol,ccris 1640,unii-7131m69ikf,xanthrol |
| IUPAC Name | 9H-xanthen-9-ol |
| InChI Key | JFRMYMMIJXLMBB-UHFFFAOYSA-N |
| Molecular Formula | C13H10O2 |
6-Bromopiperonal, 98%
CAS: 15930-53-7 Molecular Formula: C8H5BrO3 Molecular Weight (g/mol): 229.03 MDL Number: MFCD00022952 InChI Key: CSQUXTSIDQURDV-UHFFFAOYSA-N Synonym: 6-bromopiperonal,6-bromo-benzo 1,3 dioxole-5-carbaldehyde,2-bromo-4,5-methylenedioxybenzaldehyde,piperonal, 6-bromo,6-bromobenzo d 1,3 dioxole-5-carbaldehyde,6-bromo-1,3-benzodioxole-5-carboxaldehyde,6-bromo-2h-1,3-benzodioxole-5-carbaldehyde,1,3-benzodioxole-5-carboxaldehyde, 6-bromo,6-bromobenzo 1,3 dioxole-5-carbaldehyde,benzaldehyde, 2-bromo-4,5-methylenedioxy PubChem CID: 95062 SMILES: BrC1=CC2=C(OCO2)C=C1C=O
| PubChem CID | 95062 |
|---|---|
| CAS | 15930-53-7 |
| Molecular Weight (g/mol) | 229.03 |
| MDL Number | MFCD00022952 |
| SMILES | BrC1=CC2=C(OCO2)C=C1C=O |
| Synonym | 6-bromopiperonal,6-bromo-benzo 1,3 dioxole-5-carbaldehyde,2-bromo-4,5-methylenedioxybenzaldehyde,piperonal, 6-bromo,6-bromobenzo d 1,3 dioxole-5-carbaldehyde,6-bromo-1,3-benzodioxole-5-carboxaldehyde,6-bromo-2h-1,3-benzodioxole-5-carbaldehyde,1,3-benzodioxole-5-carboxaldehyde, 6-bromo,6-bromobenzo 1,3 dioxole-5-carbaldehyde,benzaldehyde, 2-bromo-4,5-methylenedioxy |
| InChI Key | CSQUXTSIDQURDV-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrO3 |
Xanthane hydride, Thermo Scientific Chemicals
CAS: 6846-35-1 Molecular Formula: C2H2N2S3 Molecular Weight (g/mol): 150.23 InChI Key: YWZHEXZIISFIDA-UHFFFAOYSA-N IUPAC Name: 5-amino-3H-1,2,4-dithiazole-3-thione SMILES: NC1=NC(=S)SS1
| CAS | 6846-35-1 |
|---|---|
| Molecular Weight (g/mol) | 150.23 |
| SMILES | NC1=NC(=S)SS1 |
| IUPAC Name | 5-amino-3H-1,2,4-dithiazole-3-thione |
| InChI Key | YWZHEXZIISFIDA-UHFFFAOYSA-N |
| Molecular Formula | C2H2N2S3 |
2,1,3-Benzothiadiazole, 98%, Thermo Scientific Chemicals
CAS: 273-13-2 Molecular Formula: C6H4N2S Molecular Weight (g/mol): 136.172 MDL Number: MFCD00005809 InChI Key: PDQRQJVPEFGVRK-UHFFFAOYSA-N Synonym: piazthiole,benzisothiadiazole,benzo 1,2,5 thiadiazole,benzo c 1,2,5 thiadiazole,2-thia-1,3-diaza-2h-isoindene,3,4-benzo-1,2,5-thiadiazole,2??,1,3-benzothiadiazole,2,3-benzothiadiazole,3,2,5-thiadiazole,benzo-1,2,5-thiadiazole PubChem CID: 67502 IUPAC Name: 2,1,3-benzothiadiazole SMILES: C1=CC2=NSN=C2C=C1
| PubChem CID | 67502 |
|---|---|
| CAS | 273-13-2 |
| Molecular Weight (g/mol) | 136.172 |
| MDL Number | MFCD00005809 |
| SMILES | C1=CC2=NSN=C2C=C1 |
| Synonym | piazthiole,benzisothiadiazole,benzo 1,2,5 thiadiazole,benzo c 1,2,5 thiadiazole,2-thia-1,3-diaza-2h-isoindene,3,4-benzo-1,2,5-thiadiazole,2??,1,3-benzothiadiazole,2,3-benzothiadiazole,3,2,5-thiadiazole,benzo-1,2,5-thiadiazole |
| IUPAC Name | 2,1,3-benzothiadiazole |
| InChI Key | PDQRQJVPEFGVRK-UHFFFAOYSA-N |
| Molecular Formula | C6H4N2S |
4-Aminobenzo-2,1,3-thiadiazole, 98%
CAS: 767-64-6 Molecular Formula: C6H5N3S Molecular Weight (g/mol): 151.187 MDL Number: MFCD00005810 InChI Key: DRLGIZIAMHIQHL-UHFFFAOYSA-N Synonym: 4-aminobenzo-2,1,3-thiadiazole,4-amino-2,1,3-benzothiadiazole,4-aminopiazthiole,benzo c 1,2,5 thiadiazol-4-amine,2,1,3-benzothiadiazole, 4-amino,7-amino-2,1,3-benzothiadiazole,benzo 1,2,5 thiadiazol-4-ylamine,2,1,3-benzothiadiazole, 7-amino,2,1,3-benzothiadiazol-4-ylamine,2,1,3-benzothiadiazol-4 1h-imine PubChem CID: 69845 IUPAC Name: 2,1,3-benzothiadiazol-4-amine SMILES: C1=CC2=NSN=C2C(=C1)N
| PubChem CID | 69845 |
|---|---|
| CAS | 767-64-6 |
| Molecular Weight (g/mol) | 151.187 |
| MDL Number | MFCD00005810 |
| SMILES | C1=CC2=NSN=C2C(=C1)N |
| Synonym | 4-aminobenzo-2,1,3-thiadiazole,4-amino-2,1,3-benzothiadiazole,4-aminopiazthiole,benzo c 1,2,5 thiadiazol-4-amine,2,1,3-benzothiadiazole, 4-amino,7-amino-2,1,3-benzothiadiazole,benzo 1,2,5 thiadiazol-4-ylamine,2,1,3-benzothiadiazole, 7-amino,2,1,3-benzothiadiazol-4-ylamine,2,1,3-benzothiadiazol-4 1h-imine |
| IUPAC Name | 2,1,3-benzothiadiazol-4-amine |
| InChI Key | DRLGIZIAMHIQHL-UHFFFAOYSA-N |
| Molecular Formula | C6H5N3S |