Organoheterocyclic compounds
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4,5-Dichlorophthalic anhydride, 98%
CAS: 942-06-3 Molecular Formula: C8H2Cl2O3 Molecular Weight (g/mol): 217.00 MDL Number: MFCD00075034 InChI Key: ULSOWUBMELTORB-UHFFFAOYSA-N Synonym: 4,5-dichlorophthalic anhydride,5,6-dichloroisobenzofuran-1,3-dione,4,5-dichlorophthalicanhydride,1,3-isobenzofurandione, 5,6-dichloro,5,6-dichloro-1,3-dihydro-2-benzofuran-1,3-dione,5,6-dichloro-1,3-dihydroisobenzofuran-1,3-dione,5,6-dichlor-2-benzofuran-1,3-dion,pubchem16761,acmc-209rqk,4,5-dichlorophalic anhydride PubChem CID: 70334 IUPAC Name: 5,6-dichloro-2-benzofuran-1,3-dione SMILES: ClC1=CC2=C(C=C1Cl)C(=O)OC2=O
| PubChem CID | 70334 |
|---|---|
| CAS | 942-06-3 |
| Molecular Weight (g/mol) | 217.00 |
| MDL Number | MFCD00075034 |
| SMILES | ClC1=CC2=C(C=C1Cl)C(=O)OC2=O |
| Synonym | 4,5-dichlorophthalic anhydride,5,6-dichloroisobenzofuran-1,3-dione,4,5-dichlorophthalicanhydride,1,3-isobenzofurandione, 5,6-dichloro,5,6-dichloro-1,3-dihydro-2-benzofuran-1,3-dione,5,6-dichloro-1,3-dihydroisobenzofuran-1,3-dione,5,6-dichlor-2-benzofuran-1,3-dion,pubchem16761,acmc-209rqk,4,5-dichlorophalic anhydride |
| IUPAC Name | 5,6-dichloro-2-benzofuran-1,3-dione |
| InChI Key | ULSOWUBMELTORB-UHFFFAOYSA-N |
| Molecular Formula | C8H2Cl2O3 |
2,3-Dihydro-6-isocyano-1,4-benzodioxine, 95%
CAS: 174092-82-1 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD06200565 InChI Key: AAUQOWLQNFIDQL-UHFFFAOYSA-N Synonym: 2,3-dihydro-6-isocyano-1,4-benzodioxine,6-isocyano-2,3-dihydro-benzo 1,4 dioxine,6-isocyano-4-oxachromane,n-methylidyne-2,3-dihydrobenzo b 1,4 dioxin-6-aminium,pubchem16170,2h,3h-benzo e 1,4-dioxin-6-isocyanide,6-isocyano-2,3-dihydro-1,4-benzodioxin,1,4-benzodioxin,2,3-dihydro-6-isocyano,6-isocyano-2,3-dihydrobenzo b 1,4 dioxine,6-isocyano-2,3-dihydro-benzo b 1,4 dioxine PubChem CID: 2734808 IUPAC Name: 6-isocyano-2,3-dihydro-1,4-benzodioxine SMILES: [C-]#[N+]C1=CC2=C(C=C1)OCCO2
| PubChem CID | 2734808 |
|---|---|
| CAS | 174092-82-1 |
| Molecular Weight (g/mol) | 161.16 |
| MDL Number | MFCD06200565 |
| SMILES | [C-]#[N+]C1=CC2=C(C=C1)OCCO2 |
| Synonym | 2,3-dihydro-6-isocyano-1,4-benzodioxine,6-isocyano-2,3-dihydro-benzo 1,4 dioxine,6-isocyano-4-oxachromane,n-methylidyne-2,3-dihydrobenzo b 1,4 dioxin-6-aminium,pubchem16170,2h,3h-benzo e 1,4-dioxin-6-isocyanide,6-isocyano-2,3-dihydro-1,4-benzodioxin,1,4-benzodioxin,2,3-dihydro-6-isocyano,6-isocyano-2,3-dihydrobenzo b 1,4 dioxine,6-isocyano-2,3-dihydro-benzo b 1,4 dioxine |
| IUPAC Name | 6-isocyano-2,3-dihydro-1,4-benzodioxine |
| InChI Key | AAUQOWLQNFIDQL-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |
5-Azabenzimidazole, 97%
CAS: 272-97-9 Molecular Formula: C6H5N3 Molecular Weight (g/mol): 119.13 MDL Number: MFCD00051808 InChI Key: UBOOKRVGOBKDMM-UHFFFAOYSA-N Synonym: 3h-imidazo 4,5-c pyridine,1h-imidazo 4,5-c pyridine,5-azabenzimidazole,3,5-diazaindole,5h-imidazo 4,5-c pyridine,imidazo 4,5-c pyridine,5-aza-1h-benzoimidazole,5-aza-benzimidazole PubChem CID: 9227 IUPAC Name: 3H-imidazo[4,5-c]pyridine SMILES: N1C=NC2=CC=NC=C12
| PubChem CID | 9227 |
|---|---|
| CAS | 272-97-9 |
| Molecular Weight (g/mol) | 119.13 |
| MDL Number | MFCD00051808 |
| SMILES | N1C=NC2=CC=NC=C12 |
| Synonym | 3h-imidazo 4,5-c pyridine,1h-imidazo 4,5-c pyridine,5-azabenzimidazole,3,5-diazaindole,5h-imidazo 4,5-c pyridine,imidazo 4,5-c pyridine,5-aza-1h-benzoimidazole,5-aza-benzimidazole |
| IUPAC Name | 3H-imidazo[4,5-c]pyridine |
| InChI Key | UBOOKRVGOBKDMM-UHFFFAOYSA-N |
| Molecular Formula | C6H5N3 |
5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside, 98%
CAS: 2627-69-2 Molecular Formula: C9H14N4O5 Molecular Weight (g/mol): 258.23 MDL Number: MFCD00869751 InChI Key: RTRQQBHATOEIAF-UUOKFMHZSA-N Synonym: acadesine,aica-riboside,aicar,arasine,aica riboside,aic-riboside,acadesina,acadesinum,5-amino-1-beta-d-ribofuranosyl-1h-imidazole-4-carboxamide,protara PubChem CID: 17513 ChEBI: CHEBI:28498 IUPAC Name: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide SMILES: NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
| PubChem CID | 17513 |
|---|---|
| CAS | 2627-69-2 |
| Molecular Weight (g/mol) | 258.23 |
| ChEBI | CHEBI:28498 |
| MDL Number | MFCD00869751 |
| SMILES | NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
| Synonym | acadesine,aica-riboside,aicar,arasine,aica riboside,aic-riboside,acadesina,acadesinum,5-amino-1-beta-d-ribofuranosyl-1h-imidazole-4-carboxamide,protara |
| IUPAC Name | 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide |
| InChI Key | RTRQQBHATOEIAF-UUOKFMHZSA-N |
| Molecular Formula | C9H14N4O5 |
Zinc phthalocyanine, 96%
CAS: 14320-04-8 InChI Key: PODBBOVVOGJETB-UHFFFAOYSA-N Synonym: zinc phthalocyanine,znpc,phthalocyanine zinc,zinc ii phthalocyanine,phthalocyanine, zinc,zinc phthalocyanine, dye content 97 % PubChem CID: 2735172 ChEBI: CHEBI:51218 SMILES: C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Zn+2]
| PubChem CID | 2735172 |
|---|---|
| CAS | 14320-04-8 |
| ChEBI | CHEBI:51218 |
| SMILES | C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Zn+2] |
| Synonym | zinc phthalocyanine,znpc,phthalocyanine zinc,zinc ii phthalocyanine,phthalocyanine, zinc,zinc phthalocyanine, dye content 97 % |
| InChI Key | PODBBOVVOGJETB-UHFFFAOYSA-N |
1-Benzylindole-3-carboxylic acid, 98%, Thermo Scientific™
CAS: 27018-76-4 Molecular Formula: C16H13NO2 Molecular Weight (g/mol): 251.28 MDL Number: MFCD00057094 InChI Key: LVYDDRHDOKXFMW-UHFFFAOYSA-N Synonym: 1-benzyl-1h-indole-3-carboxylic acid,indole-3-carboxylic acid, 1-benzyl,1h-indole-3-carboxylic acid, 1-phenylmethyl,pubchem7313,cbmicro_033327,cambridge id 5791025,5-22-03-00037 beilstein handbook reference,1-benzylindol-3-carboxylic acid,n-benzylindole-3-carboxylic acid,1h-indole-3-carboxylicacid, 1-phenylmethyl PubChem CID: 33671 IUPAC Name: 1-benzylindole-3-carboxylic acid SMILES: C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)O
| PubChem CID | 33671 |
|---|---|
| CAS | 27018-76-4 |
| Molecular Weight (g/mol) | 251.28 |
| MDL Number | MFCD00057094 |
| SMILES | C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)O |
| Synonym | 1-benzyl-1h-indole-3-carboxylic acid,indole-3-carboxylic acid, 1-benzyl,1h-indole-3-carboxylic acid, 1-phenylmethyl,pubchem7313,cbmicro_033327,cambridge id 5791025,5-22-03-00037 beilstein handbook reference,1-benzylindol-3-carboxylic acid,n-benzylindole-3-carboxylic acid,1h-indole-3-carboxylicacid, 1-phenylmethyl |
| IUPAC Name | 1-benzylindole-3-carboxylic acid |
| InChI Key | LVYDDRHDOKXFMW-UHFFFAOYSA-N |
| Molecular Formula | C16H13NO2 |
2-chlorothiazole-4-carboxylic acid, 97%
CAS: 5198-87-8 Molecular Formula: C4H2ClNO2S Molecular Weight (g/mol): 163.58 InChI Key: UVYJJJQMZPCYKY-UHFFFAOYSA-N Synonym: 2-chlorothiazole-4-carboxylic acid,2-chloro-4-thiazolecarboxylic acid,2-chloro-thiazole-4-carboxylic acid,4-carboxy-2-chloro-1,3-thiazole,4-thiazolecarboxylic acid, 2-chloro,2chloro-4-thiazolecarboxylic acid PubChem CID: 21803026 IUPAC Name: 2-chloro-1,3-thiazole-4-carboxylic acid SMILES: C1=C(N=C(S1)Cl)C(=O)O
| PubChem CID | 21803026 |
|---|---|
| CAS | 5198-87-8 |
| Molecular Weight (g/mol) | 163.58 |
| SMILES | C1=C(N=C(S1)Cl)C(=O)O |
| Synonym | 2-chlorothiazole-4-carboxylic acid,2-chloro-4-thiazolecarboxylic acid,2-chloro-thiazole-4-carboxylic acid,4-carboxy-2-chloro-1,3-thiazole,4-thiazolecarboxylic acid, 2-chloro,2chloro-4-thiazolecarboxylic acid |
| IUPAC Name | 2-chloro-1,3-thiazole-4-carboxylic acid |
| InChI Key | UVYJJJQMZPCYKY-UHFFFAOYSA-N |
| Molecular Formula | C4H2ClNO2S |
(±)-Mevalonolactone, 97%
CAS: 674-26-0 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD00006648 InChI Key: JYVXNLLUYHCIIH-UHFFFAOYNA-N Synonym: mevalonolactone,dl-mevalonic acid lactone,dl-mevalonolactone,4-hydroxy-4-methyltetrahydro-2h-pyran-2-one,mevalonic acid lactone,mevalonic lactone,dl-mevalolactone,2h-pyran-2-one, tetrahydro-4-hydroxy-4-methyl,2h-pyran-2-one, tetrahydro-4-hydroxy-4-methyl-, .+/-.,1-tetrahydro-4-hydroxy-4-methyl-2h-pyran-2-one PubChem CID: 10428 IUPAC Name: 4-hydroxy-4-methyloxan-2-one SMILES: CC1(O)CCOC(=O)C1
| PubChem CID | 10428 |
|---|---|
| CAS | 674-26-0 |
| Molecular Weight (g/mol) | 130.14 |
| MDL Number | MFCD00006648 |
| SMILES | CC1(O)CCOC(=O)C1 |
| Synonym | mevalonolactone,dl-mevalonic acid lactone,dl-mevalonolactone,4-hydroxy-4-methyltetrahydro-2h-pyran-2-one,mevalonic acid lactone,mevalonic lactone,dl-mevalolactone,2h-pyran-2-one, tetrahydro-4-hydroxy-4-methyl,2h-pyran-2-one, tetrahydro-4-hydroxy-4-methyl-, .+/-.,1-tetrahydro-4-hydroxy-4-methyl-2h-pyran-2-one |
| IUPAC Name | 4-hydroxy-4-methyloxan-2-one |
| InChI Key | JYVXNLLUYHCIIH-UHFFFAOYNA-N |
| Molecular Formula | C6H10O3 |
4,5',8-Trimethylpsoralen, 97.5%
CAS: 3902-71-4 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.25 MDL Number: MFCD00005010 InChI Key: FMHHVULEAZTJMA-UHFFFAOYSA-N Synonym: trioxsalen,trioxysalen,trisoralen,trimethylpsoralen,4,5',8-trimethylpsoralen,elder 8011,trioxisaleno,trioxysalene,trioxysalenum,2',4,8-trimethylpsoralen PubChem CID: 5585 ChEBI: CHEBI:28329 IUPAC Name: 2,5,9-trimethylfuro[3,2-g]chromen-7-one SMILES: CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1
| PubChem CID | 5585 |
|---|---|
| CAS | 3902-71-4 |
| Molecular Weight (g/mol) | 228.25 |
| ChEBI | CHEBI:28329 |
| MDL Number | MFCD00005010 |
| SMILES | CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1 |
| Synonym | trioxsalen,trioxysalen,trisoralen,trimethylpsoralen,4,5',8-trimethylpsoralen,elder 8011,trioxisaleno,trioxysalene,trioxysalenum,2',4,8-trimethylpsoralen |
| IUPAC Name | 2,5,9-trimethylfuro[3,2-g]chromen-7-one |
| InChI Key | FMHHVULEAZTJMA-UHFFFAOYSA-N |
| Molecular Formula | C14H12O3 |
Thermo Scientific Chemicals 5-Iodouracil, 99%
CAS: 696-07-1 Molecular Formula: C4H3IN2O2 Molecular Weight (g/mol): 237.98 MDL Number: MFCD00006020 InChI Key: KSNXJLQDQOIRIP-UHFFFAOYSA-N Synonym: 5-iodouracil,5-iodopyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, 5-iodo,uracil, 5-iodo,5-iodopyrimidine-2,4-diol,2,4-dihydroxy-5-iodopyrimidine,5-iodo uracil,unii-h59brk500m,chembl1173,5-iodo-1,2,3,4-tetrahydropyrimidine-2,4-dione PubChem CID: 69672 ChEBI: CHEBI:43636 IUPAC Name: 5-iodo-1H-pyrimidine-2,4-dione SMILES: IC1=CNC(=O)NC1=O
| PubChem CID | 69672 |
|---|---|
| CAS | 696-07-1 |
| Molecular Weight (g/mol) | 237.98 |
| ChEBI | CHEBI:43636 |
| MDL Number | MFCD00006020 |
| SMILES | IC1=CNC(=O)NC1=O |
| Synonym | 5-iodouracil,5-iodopyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, 5-iodo,uracil, 5-iodo,5-iodopyrimidine-2,4-diol,2,4-dihydroxy-5-iodopyrimidine,5-iodo uracil,unii-h59brk500m,chembl1173,5-iodo-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| IUPAC Name | 5-iodo-1H-pyrimidine-2,4-dione |
| InChI Key | KSNXJLQDQOIRIP-UHFFFAOYSA-N |
| Molecular Formula | C4H3IN2O2 |
3-Ethylpyridine, 98%
CAS: 536-78-7 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.156 MDL Number: MFCD00006413 InChI Key: MFEIKQPHQINPRI-UHFFFAOYSA-N Synonym: pyridine, 3-ethyl,3-ethyl pyridine,beta-lutidine,beta-ethylpyridine,3-ethyl-pyridine,5-ethylpyridine,unii-a25i3ez88v,lutidine, beta,3ethylpyridine,fema no. 3394 PubChem CID: 10823 IUPAC Name: 3-ethylpyridine SMILES: CCC1=CN=CC=C1
| PubChem CID | 10823 |
|---|---|
| CAS | 536-78-7 |
| Molecular Weight (g/mol) | 107.156 |
| MDL Number | MFCD00006413 |
| SMILES | CCC1=CN=CC=C1 |
| Synonym | pyridine, 3-ethyl,3-ethyl pyridine,beta-lutidine,beta-ethylpyridine,3-ethyl-pyridine,5-ethylpyridine,unii-a25i3ez88v,lutidine, beta,3ethylpyridine,fema no. 3394 |
| IUPAC Name | 3-ethylpyridine |
| InChI Key | MFEIKQPHQINPRI-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
Pseudothiohydantoin, 97%
CAS: 556-90-1 Molecular Formula: C3H4N2OS Molecular Weight (g/mol): 116.138 MDL Number: MFCD00003186 InChI Key: HYMJHROUVPWYNQ-UHFFFAOYSA-N Synonym: pseudothiohydantoin,2-aminothiazol-4 5h-one,2-imino-4-thiazolidinone,4 5h-thiazolone, 2-amino,usaf dm-1,2-imino-4-thiazolidone,2-amino-2-thiazolin-4-one,usaf be-4-5,2-amino-4-oxo-thiazole,2-imino-thiazolidin-4-one PubChem CID: 11175 IUPAC Name: 2-amino-1,3-thiazol-4-one SMILES: C1C(=O)N=C(S1)N
| PubChem CID | 11175 |
|---|---|
| CAS | 556-90-1 |
| Molecular Weight (g/mol) | 116.138 |
| MDL Number | MFCD00003186 |
| SMILES | C1C(=O)N=C(S1)N |
| Synonym | pseudothiohydantoin,2-aminothiazol-4 5h-one,2-imino-4-thiazolidinone,4 5h-thiazolone, 2-amino,usaf dm-1,2-imino-4-thiazolidone,2-amino-2-thiazolin-4-one,usaf be-4-5,2-amino-4-oxo-thiazole,2-imino-thiazolidin-4-one |
| IUPAC Name | 2-amino-1,3-thiazol-4-one |
| InChI Key | HYMJHROUVPWYNQ-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2OS |
2-Amino-5-nitrothiazole, 97%
CAS: 121-66-4 Molecular Formula: C3H3N3O2S Molecular Weight (g/mol): 145.14 MDL Number: MFCD00005326 InChI Key: MIHADVKEHAFNPG-UHFFFAOYSA-N Synonym: 2-amino-5-nitrothiazole,5-nitrothiazol-2-amine,enheptin,entramin,2-thiazolamine, 5-nitro,nitramin ido,amnizol soluble,enheptin-t,5-nitro-2-thiazolamine,enheptin premix PubChem CID: 8486 ChEBI: CHEBI:82386 IUPAC Name: 5-nitro-1,3-thiazol-2-amine SMILES: NC1=NC=C(S1)[N+]([O-])=O
| PubChem CID | 8486 |
|---|---|
| CAS | 121-66-4 |
| Molecular Weight (g/mol) | 145.14 |
| ChEBI | CHEBI:82386 |
| MDL Number | MFCD00005326 |
| SMILES | NC1=NC=C(S1)[N+]([O-])=O |
| Synonym | 2-amino-5-nitrothiazole,5-nitrothiazol-2-amine,enheptin,entramin,2-thiazolamine, 5-nitro,nitramin ido,amnizol soluble,enheptin-t,5-nitro-2-thiazolamine,enheptin premix |
| IUPAC Name | 5-nitro-1,3-thiazol-2-amine |
| InChI Key | MIHADVKEHAFNPG-UHFFFAOYSA-N |
| Molecular Formula | C3H3N3O2S |
3-Methylbenzo[b]furan-2-carboxylic acid, 97%
CAS: 24673-56-1 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.171 MDL Number: MFCD00060511 InChI Key: YMZTUCZCQMQFMK-UHFFFAOYSA-N Synonym: 3-methylbenzofuran-2-carboxylic acid,2-benzofurancarboxylic acid, 3-methyl,3-methyl-2-benzofurancarboxylic acid,3-methyl-benzofuran-2-carboxylic acid,3-methylbenzo b furan-2-carboxylic acid,cambridge id 5100668,acmc-1cp97,3-methylbenzofuran-2-carboxylicacid,3-methylbenzofuran 2 carboxylic acid,2-benzofurancarboxylicacid, 3-methyl PubChem CID: 600591 IUPAC Name: 3-methyl-1-benzofuran-2-carboxylic acid SMILES: CC1=C(OC2=CC=CC=C12)C(=O)O
| PubChem CID | 600591 |
|---|---|
| CAS | 24673-56-1 |
| Molecular Weight (g/mol) | 176.171 |
| MDL Number | MFCD00060511 |
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)O |
| Synonym | 3-methylbenzofuran-2-carboxylic acid,2-benzofurancarboxylic acid, 3-methyl,3-methyl-2-benzofurancarboxylic acid,3-methyl-benzofuran-2-carboxylic acid,3-methylbenzo b furan-2-carboxylic acid,cambridge id 5100668,acmc-1cp97,3-methylbenzofuran-2-carboxylicacid,3-methylbenzofuran 2 carboxylic acid,2-benzofurancarboxylicacid, 3-methyl |
| IUPAC Name | 3-methyl-1-benzofuran-2-carboxylic acid |
| InChI Key | YMZTUCZCQMQFMK-UHFFFAOYSA-N |
| Molecular Formula | C10H8O3 |
| CAS | 6243-10-3 |
|---|---|
| MDL Number | MFCD00046356 |