Organoheterocyclic compounds
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9-Phenylcarbazole-3-boronic acid, 98%
CAS: 854952-58-2 Molecular Formula: C18H14BNO2 Molecular Weight (g/mol): 287.13 MDL Number: MFCD12196936 InChI Key: JWJQEUDGBZMPAX-UHFFFAOYSA-N Synonym: 9-phenyl-9h-carbazol-3-yl boronic acid,9-phenyl-9h-carbazol-3-ylboronic acid,9-phenyl carbazole-3-boronic acid,9-phenyl-3-carbazoleboronic acid,9-phenylcarbazole-3-boronic acid,b-9-phenyl-9h-carbazol-3-yl boronic acid,n-phenylcarbazole-3-boronic acid,3-borono-9-phenyl-9h-carbazole,pubchem23232,g00061-watson-int PubChem CID: 51358450 IUPAC Name: (9-phenylcarbazol-3-yl)boronic acid SMILES: OB(O)C1=CC2=C(C=C1)N(C1=C2C=CC=C1)C1=CC=CC=C1
| PubChem CID | 51358450 |
|---|---|
| CAS | 854952-58-2 |
| Molecular Weight (g/mol) | 287.13 |
| MDL Number | MFCD12196936 |
| SMILES | OB(O)C1=CC2=C(C=C1)N(C1=C2C=CC=C1)C1=CC=CC=C1 |
| Synonym | 9-phenyl-9h-carbazol-3-yl boronic acid,9-phenyl-9h-carbazol-3-ylboronic acid,9-phenyl carbazole-3-boronic acid,9-phenyl-3-carbazoleboronic acid,9-phenylcarbazole-3-boronic acid,b-9-phenyl-9h-carbazol-3-yl boronic acid,n-phenylcarbazole-3-boronic acid,3-borono-9-phenyl-9h-carbazole,pubchem23232,g00061-watson-int |
| IUPAC Name | (9-phenylcarbazol-3-yl)boronic acid |
| InChI Key | JWJQEUDGBZMPAX-UHFFFAOYSA-N |
| Molecular Formula | C18H14BNO2 |
Ethyl 2-morpholino-1,3-thiazole-4-carboxylate, 97%, Thermo Scientific™
CAS: 126533-95-7 Molecular Formula: C10H14N2O3S Molecular Weight (g/mol): 242.293 MDL Number: MFCD09702412 InChI Key: OINWWRRVBHJAKO-UHFFFAOYSA-N Synonym: ethyl 2-morpholin-4-yl-1,3-thiazole-4-carboxylate,ethyl 2-4-morpholinyl thiazole-4-carboxylate,ethyl 2-morpholino-1,3-thiazole-4-carboxylate,ethyl 2-morpholinothiazole-4-carboxylate,4-thiazolecarboxylicacid, 2-4-morpholinyl-, ethyl ester,acmc-1c0vg,4-4-ethoxycarbonyl-1,3-thiazol-2-yl morpholine,4-thiazolecarboxylicacid,2-4-morpholinyl-,ethyl ester,2-morpholin-4-yl-thiazole-4-carboxylic acid ethyl ester PubChem CID: 15053544 IUPAC Name: ethyl 2-morpholin-4-yl-1,3-thiazole-4-carboxylate SMILES: CCOC(=O)C1=CSC(=N1)N2CCOCC2
| PubChem CID | 15053544 |
|---|---|
| CAS | 126533-95-7 |
| Molecular Weight (g/mol) | 242.293 |
| MDL Number | MFCD09702412 |
| SMILES | CCOC(=O)C1=CSC(=N1)N2CCOCC2 |
| Synonym | ethyl 2-morpholin-4-yl-1,3-thiazole-4-carboxylate,ethyl 2-4-morpholinyl thiazole-4-carboxylate,ethyl 2-morpholino-1,3-thiazole-4-carboxylate,ethyl 2-morpholinothiazole-4-carboxylate,4-thiazolecarboxylicacid, 2-4-morpholinyl-, ethyl ester,acmc-1c0vg,4-4-ethoxycarbonyl-1,3-thiazol-2-yl morpholine,4-thiazolecarboxylicacid,2-4-morpholinyl-,ethyl ester,2-morpholin-4-yl-thiazole-4-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 2-morpholin-4-yl-1,3-thiazole-4-carboxylate |
| InChI Key | OINWWRRVBHJAKO-UHFFFAOYSA-N |
| Molecular Formula | C10H14N2O3S |
D(+)-Glucurono-3,6-lactone, 99+%
CAS: 32449-92-6 MDL Number: MFCD00135622 InChI Key: UYUXSRADSPPKRZ-KKQCNMDGSA-N Synonym: d-glucuro-3,6-lactone PubChem CID: 91634076 IUPAC Name: (2S)-2-[(2S,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetaldehyde SMILES: C(=O)C(C1C(C(C(=O)O1)O)O)O
| PubChem CID | 91634076 |
|---|---|
| CAS | 32449-92-6 |
| MDL Number | MFCD00135622 |
| SMILES | C(=O)C(C1C(C(C(=O)O1)O)O)O |
| Synonym | d-glucuro-3,6-lactone |
| IUPAC Name | (2S)-2-[(2S,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetaldehyde |
| InChI Key | UYUXSRADSPPKRZ-KKQCNMDGSA-N |
4-Chloro-7-fluoro-2-methylquinoline, 95%
CAS: 18529-04-9 Molecular Formula: C10H7ClFN Molecular Weight (g/mol): 195.621 MDL Number: MFCD00272333 InChI Key: BBZQRRHOPBBNRO-UHFFFAOYSA-N Synonym: quinoline,4-chloro-7-fluoro-2-methyl,acmc-1bvel,4-chloro-7-fluoroquinaldine PubChem CID: 15151230 IUPAC Name: 4-chloro-7-fluoro-2-methylquinoline SMILES: CC1=NC2=C(C=CC(=C2)F)C(=C1)Cl
| PubChem CID | 15151230 |
|---|---|
| CAS | 18529-04-9 |
| Molecular Weight (g/mol) | 195.621 |
| MDL Number | MFCD00272333 |
| SMILES | CC1=NC2=C(C=CC(=C2)F)C(=C1)Cl |
| Synonym | quinoline,4-chloro-7-fluoro-2-methyl,acmc-1bvel,4-chloro-7-fluoroquinaldine |
| IUPAC Name | 4-chloro-7-fluoro-2-methylquinoline |
| InChI Key | BBZQRRHOPBBNRO-UHFFFAOYSA-N |
| Molecular Formula | C10H7ClFN |
4-Azaphthalide, 98%, Thermo Scientific Chemicals
CAS: 5657-51-2 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.12 InChI Key: YSJHADWSLVFGGT-UHFFFAOYSA-N Synonym: furo 3,4-b pyridin-5 7h-one,4-azaphthalide,7h-furo 3,4-b pyridin-5-one,ksc269g5r,5h,7h-furo 3,4-b pyridin-5-one PubChem CID: 819439 IUPAC Name: 7H-furo[3,4-b]pyridin-5-one SMILES: C1C2=C(C=CC=N2)C(=O)O1
| PubChem CID | 819439 |
|---|---|
| CAS | 5657-51-2 |
| Molecular Weight (g/mol) | 135.12 |
| SMILES | C1C2=C(C=CC=N2)C(=O)O1 |
| Synonym | furo 3,4-b pyridin-5 7h-one,4-azaphthalide,7h-furo 3,4-b pyridin-5-one,ksc269g5r,5h,7h-furo 3,4-b pyridin-5-one |
| IUPAC Name | 7H-furo[3,4-b]pyridin-5-one |
| InChI Key | YSJHADWSLVFGGT-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO2 |
3-Bromo-5-iodopyridine, 95%
CAS: 233770-01-9 Molecular Formula: C5H3BrIN Molecular Weight (g/mol): 283.894 MDL Number: MFCD03086019 InChI Key: AOOZLVWDZUPEHT-UHFFFAOYSA-N PubChem CID: 820409 IUPAC Name: 3-bromo-5-iodopyridine SMILES: C1=C(C=NC=C1I)Br
| PubChem CID | 820409 |
|---|---|
| CAS | 233770-01-9 |
| Molecular Weight (g/mol) | 283.894 |
| MDL Number | MFCD03086019 |
| SMILES | C1=C(C=NC=C1I)Br |
| IUPAC Name | 3-bromo-5-iodopyridine |
| InChI Key | AOOZLVWDZUPEHT-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrIN |
5,5'-Dimethyl-2,2'-bipyridine, 98%
CAS: 1762-34-1 Molecular Formula: C12H12N2 Molecular Weight (g/mol): 184.242 MDL Number: MFCD01740554 InChI Key: PTRATZCAGVBFIQ-UHFFFAOYSA-N Synonym: 5,5'-dimethyl-2,2'-bipyridine,abametapir,5,5'-dimethyl-2,2'-dipyridyl,6,6'-bi-3-picoline,5,5'-dimethyl-2,2'-bipyridyl,6,6'-di-3-picolyl,6,6'-di-3-picoline,unii-6uo390amfb,2,2'-bipyridine, 5,5'-dimethyl,5,5-dimethyl-2,2-dipyridyl PubChem CID: 15664 IUPAC Name: 5-methyl-2-(5-methylpyridin-2-yl)pyridine SMILES: CC1=CN=C(C=C1)C2=NC=C(C=C2)C
| PubChem CID | 15664 |
|---|---|
| CAS | 1762-34-1 |
| Molecular Weight (g/mol) | 184.242 |
| MDL Number | MFCD01740554 |
| SMILES | CC1=CN=C(C=C1)C2=NC=C(C=C2)C |
| Synonym | 5,5'-dimethyl-2,2'-bipyridine,abametapir,5,5'-dimethyl-2,2'-dipyridyl,6,6'-bi-3-picoline,5,5'-dimethyl-2,2'-bipyridyl,6,6'-di-3-picolyl,6,6'-di-3-picoline,unii-6uo390amfb,2,2'-bipyridine, 5,5'-dimethyl,5,5-dimethyl-2,2-dipyridyl |
| IUPAC Name | 5-methyl-2-(5-methylpyridin-2-yl)pyridine |
| InChI Key | PTRATZCAGVBFIQ-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2 |
5,6-Dichloro-2-mercaptobenzimidazole, 98%
CAS: 19462-98-7 Molecular Formula: C7H4Cl2N2S Molecular Weight (g/mol): 219.083 MDL Number: MFCD00052398 InChI Key: AFDOMGKBKBKUHB-UHFFFAOYSA-N PubChem CID: 2774259 IUPAC Name: 5,6-dichloro-1,3-dihydrobenzimidazole-2-thione SMILES: C1=C2C(=CC(=C1Cl)Cl)NC(=S)N2
| PubChem CID | 2774259 |
|---|---|
| CAS | 19462-98-7 |
| Molecular Weight (g/mol) | 219.083 |
| MDL Number | MFCD00052398 |
| SMILES | C1=C2C(=CC(=C1Cl)Cl)NC(=S)N2 |
| IUPAC Name | 5,6-dichloro-1,3-dihydrobenzimidazole-2-thione |
| InChI Key | AFDOMGKBKBKUHB-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2N2S |
Dibenzofuran, 98%
CAS: 132-64-9 Molecular Formula: C12H8O Molecular Weight (g/mol): 168.195 MDL Number: MFCD00004968 InChI Key: TXCDCPKCNAJMEE-UHFFFAOYSA-N Synonym: dibenzo b,d furan,diphenylene oxide,2,2'-biphenylene oxide,2,2'-biphenylylene oxide,dibenzofurans,dibenzol b,d furan,dibenzofurane,1,1'-biphenyl-2,2'-diyl oxide PubChem CID: 568 ChEBI: CHEBI:28145 IUPAC Name: dibenzofuran SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3O2
| PubChem CID | 568 |
|---|---|
| CAS | 132-64-9 |
| Molecular Weight (g/mol) | 168.195 |
| ChEBI | CHEBI:28145 |
| MDL Number | MFCD00004968 |
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3O2 |
| Synonym | dibenzo b,d furan,diphenylene oxide,2,2'-biphenylene oxide,2,2'-biphenylylene oxide,dibenzofurans,dibenzol b,d furan,dibenzofurane,1,1'-biphenyl-2,2'-diyl oxide |
| IUPAC Name | dibenzofuran |
| InChI Key | TXCDCPKCNAJMEE-UHFFFAOYSA-N |
| Molecular Formula | C12H8O |
6-Chloro-4-methylpyridine-2-carboxylic acid, 95%
CAS: 324028-95-7 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD09834827 InChI Key: IDIRHQNTRMGBPJ-UHFFFAOYSA-N Synonym: 6-chloro-4-methyl-2-pyridinecarboxylic acid,6-chloro-4-methylpicolinic acid,6-chloro-4-methyl-pyridine-2-carboxylic acid,6-chloranyl-4-methyl-pyridine-2-carboxylic acid PubChem CID: 23002381 IUPAC Name: 6-chloro-4-methylpyridine-2-carboxylic acid SMILES: CC1=CC(=NC(=C1)Cl)C(=O)O
| PubChem CID | 23002381 |
|---|---|
| CAS | 324028-95-7 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD09834827 |
| SMILES | CC1=CC(=NC(=C1)Cl)C(=O)O |
| Synonym | 6-chloro-4-methyl-2-pyridinecarboxylic acid,6-chloro-4-methylpicolinic acid,6-chloro-4-methyl-pyridine-2-carboxylic acid,6-chloranyl-4-methyl-pyridine-2-carboxylic acid |
| IUPAC Name | 6-chloro-4-methylpyridine-2-carboxylic acid |
| InChI Key | IDIRHQNTRMGBPJ-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
3,5-Diamino-1,2,4-triazole, 98%
CAS: 1455-77-2 Molecular Formula: C2H5N5 Molecular Weight (g/mol): 99.097 MDL Number: MFCD00005233 InChI Key: PKWIYNIDEDLDCJ-UHFFFAOYSA-N Synonym: guanazole,3,5-diamino-1,2,4-triazole,4h-1,2,4-triazole-3,5-diamine,3,5-diamino-1h-1,2,4-triazole,3,5-diamino-s-triazole,s-triazole, 3,5-diamino,1,2,4-triazolidine, 3,5-diimino,unii-i01twm5267,ccris 3745,3-amino-1h-1,2,4-triazol-5-ylamine PubChem CID: 15078 ChEBI: CHEBI:75425 IUPAC Name: 1H-1,2,4-triazole-3,5-diamine SMILES: C1(=NC(=NN1)N)N
| PubChem CID | 15078 |
|---|---|
| CAS | 1455-77-2 |
| Molecular Weight (g/mol) | 99.097 |
| ChEBI | CHEBI:75425 |
| MDL Number | MFCD00005233 |
| SMILES | C1(=NC(=NN1)N)N |
| Synonym | guanazole,3,5-diamino-1,2,4-triazole,4h-1,2,4-triazole-3,5-diamine,3,5-diamino-1h-1,2,4-triazole,3,5-diamino-s-triazole,s-triazole, 3,5-diamino,1,2,4-triazolidine, 3,5-diimino,unii-i01twm5267,ccris 3745,3-amino-1h-1,2,4-triazol-5-ylamine |
| IUPAC Name | 1H-1,2,4-triazole-3,5-diamine |
| InChI Key | PKWIYNIDEDLDCJ-UHFFFAOYSA-N |
| Molecular Formula | C2H5N5 |
4-Aminopyrimidine, 98%
CAS: 591-54-8 Molecular Formula: C4H5N3 Molecular Weight (g/mol): 95.1 MDL Number: MFCD00006112 InChI Key: OYRRZWATULMEPF-UHFFFAOYSA-N Synonym: 4-aminopyrimidine,4-pyrimidinamine,4-pyrimidineamine,pyrimidin-4-ylamine,pyrimidine, 4-amino,6-aminopyrimidine,4-amino pyrimidine,pyrimidine-4-ylamine,pyrimidin-4-yl-amine,4-pyrimidinamine 9ci PubChem CID: 68958 ChEBI: CHEBI:38616 IUPAC Name: pyrimidin-4-amine SMILES: C1=CN=CN=C1N
| PubChem CID | 68958 |
|---|---|
| CAS | 591-54-8 |
| Molecular Weight (g/mol) | 95.1 |
| ChEBI | CHEBI:38616 |
| MDL Number | MFCD00006112 |
| SMILES | C1=CN=CN=C1N |
| Synonym | 4-aminopyrimidine,4-pyrimidinamine,4-pyrimidineamine,pyrimidin-4-ylamine,pyrimidine, 4-amino,6-aminopyrimidine,4-amino pyrimidine,pyrimidine-4-ylamine,pyrimidin-4-yl-amine,4-pyrimidinamine 9ci |
| IUPAC Name | pyrimidin-4-amine |
| InChI Key | OYRRZWATULMEPF-UHFFFAOYSA-N |
| Molecular Formula | C4H5N3 |
2-chloro-5-(trifluoromethyl)pyridine, 98+%
CAS: 52334-81-3 Molecular Formula: C6H3ClF3N Molecular Weight (g/mol): 181.54 MDL Number: MFCD00042225 InChI Key: JFZJMSDDOOAOIV-UHFFFAOYSA-N Synonym: 2-chloro-5-trifluoromethyl pyridine,2,5-ctf,pyridine, 2-chloro-5-trifluoromethyl,ccris 6430,5-trifluoromethyl-2-chloropyridine,unii-c9g66d966b,2-chloro-5-trifluoropyridine,2-chloro-5 trifluoromethyl pyridine PubChem CID: 92342 IUPAC Name: 2-chloro-5-(trifluoromethyl)pyridine SMILES: FC(F)(F)C1=CC=C(Cl)N=C1
| PubChem CID | 92342 |
|---|---|
| CAS | 52334-81-3 |
| Molecular Weight (g/mol) | 181.54 |
| MDL Number | MFCD00042225 |
| SMILES | FC(F)(F)C1=CC=C(Cl)N=C1 |
| Synonym | 2-chloro-5-trifluoromethyl pyridine,2,5-ctf,pyridine, 2-chloro-5-trifluoromethyl,ccris 6430,5-trifluoromethyl-2-chloropyridine,unii-c9g66d966b,2-chloro-5-trifluoropyridine,2-chloro-5 trifluoromethyl pyridine |
| IUPAC Name | 2-chloro-5-(trifluoromethyl)pyridine |
| InChI Key | JFZJMSDDOOAOIV-UHFFFAOYSA-N |
| Molecular Formula | C6H3ClF3N |
1,10-Phenanthroline Monohydrochloride Monohydrate, 97%
CAS: 18851-33-7 Molecular Formula: HCl·H2O Molecular Weight (g/mol): 234.69 MDL Number: MFCD00150061 InChI Key: NDLHUHRGAIHALB-UHFFFAOYSA-N Synonym: 1,10-phenanthroline hydrochloride monohydrate,1,10-phenanthroline hydrochloride hydrate,1,10-phenanthroline monohydrochloride monohydrate,1,10-phenanthroline hydrate hydrochloride,1,10-phenanthroline, monohydrochloride, monohydrate,phen hydrate hydrochloride,acmc-209iz9,dsstox_cid_24309,dsstox_rid_80145,dsstox_gsid_44309 PubChem CID: 2723715 IUPAC Name: 1,10-phenanthroline;hydrate;hydrochloride SMILES: C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.O.Cl
| PubChem CID | 2723715 |
|---|---|
| CAS | 18851-33-7 |
| Molecular Weight (g/mol) | 234.69 |
| MDL Number | MFCD00150061 |
| SMILES | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.O.Cl |
| Synonym | 1,10-phenanthroline hydrochloride monohydrate,1,10-phenanthroline hydrochloride hydrate,1,10-phenanthroline monohydrochloride monohydrate,1,10-phenanthroline hydrate hydrochloride,1,10-phenanthroline, monohydrochloride, monohydrate,phen hydrate hydrochloride,acmc-209iz9,dsstox_cid_24309,dsstox_rid_80145,dsstox_gsid_44309 |
| IUPAC Name | 1,10-phenanthroline;hydrate;hydrochloride |
| InChI Key | NDLHUHRGAIHALB-UHFFFAOYSA-N |
| Molecular Formula | HCl·H2O |
5-tert-Butyl-2-methyl-3-furoic acid, 97%
CAS: 38422-62-7 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.219 MDL Number: MFCD00221068 InChI Key: NWWAPYOVUAEIJB-UHFFFAOYSA-N Synonym: 5-tert-butyl-2-methylfuran-3-carboxylic acid,5-tert-butyl-2-methyl-3-furoic acid,maybridge3_006912,acmc-20am1c,5-tert-butyl-3-carboxy-2-methylfuran,5-? 1,?1-?dimethylethyl ?-?2-?methyl-3-?furancarboxylic acid PubChem CID: 2742176 IUPAC Name: 5-tert-butyl-2-methylfuran-3-carboxylic acid SMILES: CC1=C(C=C(O1)C(C)(C)C)C(=O)O
| PubChem CID | 2742176 |
|---|---|
| CAS | 38422-62-7 |
| Molecular Weight (g/mol) | 182.219 |
| MDL Number | MFCD00221068 |
| SMILES | CC1=C(C=C(O1)C(C)(C)C)C(=O)O |
| Synonym | 5-tert-butyl-2-methylfuran-3-carboxylic acid,5-tert-butyl-2-methyl-3-furoic acid,maybridge3_006912,acmc-20am1c,5-tert-butyl-3-carboxy-2-methylfuran,5-? 1,?1-?dimethylethyl ?-?2-?methyl-3-?furancarboxylic acid |
| IUPAC Name | 5-tert-butyl-2-methylfuran-3-carboxylic acid |
| InChI Key | NWWAPYOVUAEIJB-UHFFFAOYSA-N |
| Molecular Formula | C10H14O3 |