Organoheterocyclic compounds
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1,2-Bis[(2R,5R)-2,5-dimethyl-1-phospholanyl]benzene, 97+%
CAS: 147253-67-6 Molecular Formula: C18H28P2 Molecular Weight (g/mol): 306.37 MDL Number: MFCD00142336 InChI Key: AJNZWRKTWQLAJK-KLHDSHLOSA-N Synonym: r,r-me-duphos,methyl-duphos, r,r,r,r-methyl-duphos,unii-h5w03d1haq,h5w03d1haq,--1,2-bis 2r,5r-2,5-dimethylphospholano benzene,r,r-meduphos,methyl-duphos,-,2r,5r-me-duphos PubChem CID: 2734551 IUPAC Name: (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane SMILES: CC1CCC(P1C2=CC=CC=C2P3C(CCC3C)C)C
| PubChem CID | 2734551 |
|---|---|
| CAS | 147253-67-6 |
| Molecular Weight (g/mol) | 306.37 |
| MDL Number | MFCD00142336 |
| SMILES | CC1CCC(P1C2=CC=CC=C2P3C(CCC3C)C)C |
| Synonym | r,r-me-duphos,methyl-duphos, r,r,r,r-methyl-duphos,unii-h5w03d1haq,h5w03d1haq,--1,2-bis 2r,5r-2,5-dimethylphospholano benzene,r,r-meduphos,methyl-duphos,-,2r,5r-me-duphos |
| IUPAC Name | (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane |
| InChI Key | AJNZWRKTWQLAJK-KLHDSHLOSA-N |
| Molecular Formula | C18H28P2 |
7-Fluorobenzofurazan-4-sulfonic acid ammonium salt, 99%, Thermo Scientific Chemicals
CAS: 84806-27-9 Molecular Formula: C6H6FN3O4S Molecular Weight (g/mol): 235.189 MDL Number: MFCD02682109 InChI Key: JXLHNMVSKXFWAO-UHFFFAOYSA-N Synonym: sbd-f,7-fluorobenzofurazan-4-sulfonic acid ammonium salt,ammonium 7-fluoro-2,1,3-benzoxadiazole-4-sulfonate,ammonium 7-fluoro-2,1,3-benzoxadiazole-4-sulphonate,azanium 7-fluoro-2,1,3-benzoxadiazole-4-sulfonate,ammonium 7-fluorobenzo c 1,2,5 oxadiazole-4-sulfonate,7-fluorobenzo c 1,2,5-oxadiazole-4-sulfonic acid, azamethane,2,1,3-benzoxadiazole-4-sulfonic acid, 7-fluoro-, ammonium salt 1:1 PubChem CID: 2737780 IUPAC Name: azanium;7-fluoro-2,1,3-benzoxadiazole-4-sulfonate SMILES: C1=C(C2=NON=C2C(=C1)S(=O)(=O)[O-])F.[NH4+]
| PubChem CID | 2737780 |
|---|---|
| CAS | 84806-27-9 |
| Molecular Weight (g/mol) | 235.189 |
| MDL Number | MFCD02682109 |
| SMILES | C1=C(C2=NON=C2C(=C1)S(=O)(=O)[O-])F.[NH4+] |
| Synonym | sbd-f,7-fluorobenzofurazan-4-sulfonic acid ammonium salt,ammonium 7-fluoro-2,1,3-benzoxadiazole-4-sulfonate,ammonium 7-fluoro-2,1,3-benzoxadiazole-4-sulphonate,azanium 7-fluoro-2,1,3-benzoxadiazole-4-sulfonate,ammonium 7-fluorobenzo c 1,2,5 oxadiazole-4-sulfonate,7-fluorobenzo c 1,2,5-oxadiazole-4-sulfonic acid, azamethane,2,1,3-benzoxadiazole-4-sulfonic acid, 7-fluoro-, ammonium salt 1:1 |
| IUPAC Name | azanium;7-fluoro-2,1,3-benzoxadiazole-4-sulfonate |
| InChI Key | JXLHNMVSKXFWAO-UHFFFAOYSA-N |
| Molecular Formula | C6H6FN3O4S |
2,2,4-Trimethyl-1,3-dioxolane, 99%
CAS: 1193-11-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00090841 InChI Key: ALTFLAPROMVXNX-UHFFFAOYNA-N PubChem CID: 62384 IUPAC Name: 2,2,4-trimethyl-1,3-dioxolane SMILES: CC1COC(C)(C)O1
| PubChem CID | 62384 |
|---|---|
| CAS | 1193-11-9 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00090841 |
| SMILES | CC1COC(C)(C)O1 |
| IUPAC Name | 2,2,4-trimethyl-1,3-dioxolane |
| InChI Key | ALTFLAPROMVXNX-UHFFFAOYNA-N |
| Molecular Formula | C6H12O2 |
(R)-(+)-Propylene oxide, 99%
CAS: 15448-47-2 Molecular Formula: C3H6O Molecular Weight (g/mol): 58.08 MDL Number: MFCD00066211 InChI Key: GOOHAUXETOMSMM-GSVOUGTGSA-N Synonym: r-+-propylene oxide,r-propylene oxide,2r-2-methyloxirane,r-2-methyloxirane,r-methyloxirane,+-propylene oxide,r-epoxypropane,+-methyloxirane,r-+-1,2-epoxypropane,r-1,2-epoxypropane PubChem CID: 146261 ChEBI: CHEBI:28985 IUPAC Name: (2R)-2-methyloxirane SMILES: CC1CO1
| PubChem CID | 146261 |
|---|---|
| CAS | 15448-47-2 |
| Molecular Weight (g/mol) | 58.08 |
| ChEBI | CHEBI:28985 |
| MDL Number | MFCD00066211 |
| SMILES | CC1CO1 |
| Synonym | r-+-propylene oxide,r-propylene oxide,2r-2-methyloxirane,r-2-methyloxirane,r-methyloxirane,+-propylene oxide,r-epoxypropane,+-methyloxirane,r-+-1,2-epoxypropane,r-1,2-epoxypropane |
| IUPAC Name | (2R)-2-methyloxirane |
| InChI Key | GOOHAUXETOMSMM-GSVOUGTGSA-N |
| Molecular Formula | C3H6O |
3-Phenylazo-2,6-diaminopyridine hydrochloride, 98+%
CAS: 136-40-3 Molecular Formula: C11H12ClN5 Molecular Weight (g/mol): 249.702 MDL Number: MFCD00035347 InChI Key: QQBPIHBUCMDKFG-UHFFFAOYSA-N Synonym: phenazopyridine hydrochloride,phenazopyridine hcl,urodine,pyridium,pyripyridium,bisteril,diridone,mallophene,phenazodine,pyrazodine PubChem CID: 8691 ChEBI: CHEBI:71419 IUPAC Name: 3-phenyldiazenylpyridine-2,6-diamine;hydrochloride SMILES: C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N.Cl
| PubChem CID | 8691 |
|---|---|
| CAS | 136-40-3 |
| Molecular Weight (g/mol) | 249.702 |
| ChEBI | CHEBI:71419 |
| MDL Number | MFCD00035347 |
| SMILES | C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N.Cl |
| Synonym | phenazopyridine hydrochloride,phenazopyridine hcl,urodine,pyridium,pyripyridium,bisteril,diridone,mallophene,phenazodine,pyrazodine |
| IUPAC Name | 3-phenyldiazenylpyridine-2,6-diamine;hydrochloride |
| InChI Key | QQBPIHBUCMDKFG-UHFFFAOYSA-N |
| Molecular Formula | C11H12ClN5 |
Pyrimidine-5-carboxylic acid, 95%
CAS: 4595-61-3 Molecular Formula: C5H4N2O2 Molecular Weight (g/mol): 124.10 MDL Number: MFCD00856162 InChI Key: IIVUJUOJERNGQX-UHFFFAOYSA-N Synonym: 5-pyrimidinecarboxylic acid,5-carboxypyrimidine,pyrimidine-5-carboxilic acid,5-pyrimidine carboxylic acid,pyrimidine-5-carboxylate acid,pyrimidine-5-carboxylicacid,pubchem2056,acmc-209k5a,5-pyrimidyl carboxylic acid,pyrimidin-5-carboxylic acid PubChem CID: 78346 IUPAC Name: pyrimidine-5-carboxylic acid SMILES: OC(=O)C1=CN=CN=C1
| PubChem CID | 78346 |
|---|---|
| CAS | 4595-61-3 |
| Molecular Weight (g/mol) | 124.10 |
| MDL Number | MFCD00856162 |
| SMILES | OC(=O)C1=CN=CN=C1 |
| Synonym | 5-pyrimidinecarboxylic acid,5-carboxypyrimidine,pyrimidine-5-carboxilic acid,5-pyrimidine carboxylic acid,pyrimidine-5-carboxylate acid,pyrimidine-5-carboxylicacid,pubchem2056,acmc-209k5a,5-pyrimidyl carboxylic acid,pyrimidin-5-carboxylic acid |
| IUPAC Name | pyrimidine-5-carboxylic acid |
| InChI Key | IIVUJUOJERNGQX-UHFFFAOYSA-N |
| Molecular Formula | C5H4N2O2 |
4,6-Dichloronicotinic acid, 97%
CAS: 73027-79-9 Molecular Formula: C6H3Cl2NO2 Molecular Weight (g/mol): 191.995 MDL Number: MFCD00234146 InChI Key: ILMIEWNDXAKVNI-UHFFFAOYSA-N Synonym: 4,6-dichloronicotinic acid,2,4-dichloro-5-carboxylpyridine,4,6-dichloro nicotinic acid,2,4-dichloropyridine-5-carboxylic acid,3-pyridinecarboxylic acid, 4,6-dichloro,2,4-dichloro-5-carboxypyridine,pubchem18521,acmc-209op3,4.6-dichloronicotinic acid,4,6-dichloro-nicotinic acid PubChem CID: 817158 IUPAC Name: 4,6-dichloropyridine-3-carboxylic acid SMILES: C1=C(C(=CN=C1Cl)C(=O)O)Cl
| PubChem CID | 817158 |
|---|---|
| CAS | 73027-79-9 |
| Molecular Weight (g/mol) | 191.995 |
| MDL Number | MFCD00234146 |
| SMILES | C1=C(C(=CN=C1Cl)C(=O)O)Cl |
| Synonym | 4,6-dichloronicotinic acid,2,4-dichloro-5-carboxylpyridine,4,6-dichloro nicotinic acid,2,4-dichloropyridine-5-carboxylic acid,3-pyridinecarboxylic acid, 4,6-dichloro,2,4-dichloro-5-carboxypyridine,pubchem18521,acmc-209op3,4.6-dichloronicotinic acid,4,6-dichloro-nicotinic acid |
| IUPAC Name | 4,6-dichloropyridine-3-carboxylic acid |
| InChI Key | ILMIEWNDXAKVNI-UHFFFAOYSA-N |
| Molecular Formula | C6H3Cl2NO2 |
4-Amino-5-bromo-2-chloropyrimidine, 95%
CAS: 205672-25-9 Molecular Formula: C4H3BrClN3 Molecular Weight (g/mol): 208.44 MDL Number: MFCD07782040 InChI Key: QOWALNIZDHZTSM-UHFFFAOYSA-N Synonym: 4-amino-5-bromo-2-chloropyrimidine,4-pyrimidinamine, 5-bromo-2-chloro,5-bromo-2-chloro-4-pyrimidinamine,5-bromo-2-chloro-pyrimidin-4-ylamine,5-bromo-2-chloropyrimidine-4-ylamine,pubchem18570,acmc-209fbz,5-bromo-2-chloro-pyrimidin-4-amine,5-bromo-2-chloropyrimidin-4-ylamine PubChem CID: 2763293 IUPAC Name: 5-bromo-2-chloropyrimidin-4-amine SMILES: NC1=NC(Cl)=NC=C1Br
| PubChem CID | 2763293 |
|---|---|
| CAS | 205672-25-9 |
| Molecular Weight (g/mol) | 208.44 |
| MDL Number | MFCD07782040 |
| SMILES | NC1=NC(Cl)=NC=C1Br |
| Synonym | 4-amino-5-bromo-2-chloropyrimidine,4-pyrimidinamine, 5-bromo-2-chloro,5-bromo-2-chloro-4-pyrimidinamine,5-bromo-2-chloro-pyrimidin-4-ylamine,5-bromo-2-chloropyrimidine-4-ylamine,pubchem18570,acmc-209fbz,5-bromo-2-chloro-pyrimidin-4-amine,5-bromo-2-chloropyrimidin-4-ylamine |
| IUPAC Name | 5-bromo-2-chloropyrimidin-4-amine |
| InChI Key | QOWALNIZDHZTSM-UHFFFAOYSA-N |
| Molecular Formula | C4H3BrClN3 |
2,2-Dimethyl-1,3-dioxolane, 98+%
CAS: 2916-31-6 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00014106 InChI Key: SIJBDWPVNAYVGY-UHFFFAOYSA-N PubChem CID: 76209 IUPAC Name: 2,2-dimethyl-1,3-dioxolane SMILES: CC1(C)OCCO1
| PubChem CID | 76209 |
|---|---|
| CAS | 2916-31-6 |
| Molecular Weight (g/mol) | 102.13 |
| MDL Number | MFCD00014106 |
| SMILES | CC1(C)OCCO1 |
| IUPAC Name | 2,2-dimethyl-1,3-dioxolane |
| InChI Key | SIJBDWPVNAYVGY-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
5-Hydroxyindole-2-carboxylic acid, 97%
CAS: 21598-06-1 Molecular Formula: C9H6NO3 Molecular Weight (g/mol): 176.15 MDL Number: MFCD00005615 InChI Key: BIMHWDJKNOMNLD-UHFFFAOYSA-M Synonym: 5-hydroxyindole-2-carboxylic acid,5-hydroxy-2-indolecarboxylic acid,5-hydroxyindole-2-carboxylicacid,zlchem 754,pubchem1716,acmc-20am33,5-hydroxy-indole-2-carboxylic acid,5-hydroxy-1h-2-indolecarboxylic acid,indole-2-carboxylic acid, 5-hydroxy PubChem CID: 88958 IUPAC Name: 5-hydroxy-1H-indole-2-carboxylic acid SMILES: OC1=CC=C2NC(=CC2=C1)C([O-])=O
| PubChem CID | 88958 |
|---|---|
| CAS | 21598-06-1 |
| Molecular Weight (g/mol) | 176.15 |
| MDL Number | MFCD00005615 |
| SMILES | OC1=CC=C2NC(=CC2=C1)C([O-])=O |
| Synonym | 5-hydroxyindole-2-carboxylic acid,5-hydroxy-2-indolecarboxylic acid,5-hydroxyindole-2-carboxylicacid,zlchem 754,pubchem1716,acmc-20am33,5-hydroxy-indole-2-carboxylic acid,5-hydroxy-1h-2-indolecarboxylic acid,indole-2-carboxylic acid, 5-hydroxy |
| IUPAC Name | 5-hydroxy-1H-indole-2-carboxylic acid |
| InChI Key | BIMHWDJKNOMNLD-UHFFFAOYSA-M |
| Molecular Formula | C9H6NO3 |
5-Hydroxyindole, 98+%
CAS: 1953-54-4 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00005677 InChI Key: LMIQERWZRIFWNZ-UHFFFAOYSA-N Synonym: 5-hydroxyindole,indol-5-ol,5-hydroxy-1h-indole,hydroxy-5 indole,5-hydroxy-indole,5-indolol,hydroxy-5-indole,5-hydroxyindol,5-hydroxy indole,unii-320un7xzyn PubChem CID: 16054 IUPAC Name: 1H-indol-5-ol SMILES: OC1=CC=C2NC=CC2=C1
| PubChem CID | 16054 |
|---|---|
| CAS | 1953-54-4 |
| Molecular Weight (g/mol) | 133.15 |
| MDL Number | MFCD00005677 |
| SMILES | OC1=CC=C2NC=CC2=C1 |
| Synonym | 5-hydroxyindole,indol-5-ol,5-hydroxy-1h-indole,hydroxy-5 indole,5-hydroxy-indole,5-indolol,hydroxy-5-indole,5-hydroxyindol,5-hydroxy indole,unii-320un7xzyn |
| IUPAC Name | 1H-indol-5-ol |
| InChI Key | LMIQERWZRIFWNZ-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO |
5-Aminoisoquinoline, 99%
CAS: 1125-60-6 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.18 MDL Number: MFCD00006907 InChI Key: DTVYNUOOZIKEEX-UHFFFAOYSA-N Synonym: 5-aminoisoquinoline,5-isoquinolinamine,isoquinoline, 5-amino,isoquinol-5-ylamine,isoquinolin-5-ylamine,5-amino-isoquinoline,5-aminoisoquinolin,5-isoquinolylamine,5iq,5aminoisoquinoline PubChem CID: 70766 IUPAC Name: isoquinolin-5-amine SMILES: NC1=C2C=CN=CC2=CC=C1
| PubChem CID | 70766 |
|---|---|
| CAS | 1125-60-6 |
| Molecular Weight (g/mol) | 144.18 |
| MDL Number | MFCD00006907 |
| SMILES | NC1=C2C=CN=CC2=CC=C1 |
| Synonym | 5-aminoisoquinoline,5-isoquinolinamine,isoquinoline, 5-amino,isoquinol-5-ylamine,isoquinolin-5-ylamine,5-amino-isoquinoline,5-aminoisoquinolin,5-isoquinolylamine,5iq,5aminoisoquinoline |
| IUPAC Name | isoquinolin-5-amine |
| InChI Key | DTVYNUOOZIKEEX-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2 |
5-Methyl-3-phenylisoxazole-4-carboxylic acid, 99%
CAS: 1136-45-4 Molecular Formula: C11H9NO3 Molecular Weight (g/mol): 203.197 MDL Number: MFCD00003153 InChI Key: PENHKTNQUJMHIR-UHFFFAOYSA-N Synonym: 5-methyl-3-phenylisoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarboxylic acid,3-phenyl-5-methylisoxazol-4-carbonsaeure,3-phenyl-5-methylisoxazole-4-carboxylic acid,isoxazole-4-carboxylic acid, 5-methyl-3-phenyl,5-methyl-3-phenyl-isoxazole-4-carboxylic acid,5-methyl-3-phenylisoxazole-4-carboxylicacid,3-phenyl-5-methylisoxazol-4-carbonsaeure german,5-methyl-3-phenyl-4-isooxazolic acid PubChem CID: 14343 IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)O
| PubChem CID | 14343 |
|---|---|
| CAS | 1136-45-4 |
| Molecular Weight (g/mol) | 203.197 |
| MDL Number | MFCD00003153 |
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)O |
| Synonym | 5-methyl-3-phenylisoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarboxylic acid,3-phenyl-5-methylisoxazol-4-carbonsaeure,3-phenyl-5-methylisoxazole-4-carboxylic acid,isoxazole-4-carboxylic acid, 5-methyl-3-phenyl,5-methyl-3-phenyl-isoxazole-4-carboxylic acid,5-methyl-3-phenylisoxazole-4-carboxylicacid,3-phenyl-5-methylisoxazol-4-carbonsaeure german,5-methyl-3-phenyl-4-isooxazolic acid |
| IUPAC Name | 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid |
| InChI Key | PENHKTNQUJMHIR-UHFFFAOYSA-N |
| Molecular Formula | C11H9NO3 |
2,2'-Bipyrimidine, 96%
CAS: 34671-83-5 Molecular Formula: C8H6N4 Molecular Weight (g/mol): 158.16 MDL Number: MFCD00014600 InChI Key: HKOAFLAGUQUJQG-UHFFFAOYSA-N Synonym: 2,2'-bipyrimidine,2,2'-bipyrimidyl,2,2-bipyrimidine,bpym,2-pyrimidin-2-yl pyrimidine,bipyrimidine,2,2'-bipyrimidinyl,2,2'-dipyrimidyl,2,2;-bipyrimidine PubChem CID: 123444 SMILES: C1=CN=C(N=C1)C1=NC=CC=N1
| PubChem CID | 123444 |
|---|---|
| CAS | 34671-83-5 |
| Molecular Weight (g/mol) | 158.16 |
| MDL Number | MFCD00014600 |
| SMILES | C1=CN=C(N=C1)C1=NC=CC=N1 |
| Synonym | 2,2'-bipyrimidine,2,2'-bipyrimidyl,2,2-bipyrimidine,bpym,2-pyrimidin-2-yl pyrimidine,bipyrimidine,2,2'-bipyrimidinyl,2,2'-dipyrimidyl,2,2;-bipyrimidine |
| InChI Key | HKOAFLAGUQUJQG-UHFFFAOYSA-N |
| Molecular Formula | C8H6N4 |
1-Methylindole-3-carboxaldehyde, 98+%
CAS: 19012-03-4 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.19 MDL Number: MFCD00014570 InChI Key: KXYBYRKRRGSZCX-UHFFFAOYSA-N Synonym: 1-methyl-1h-indole-3-carbaldehyde,1-methylindole-3-carboxaldehyde,1-methyl-indole-3-carbaldehyde,1h-indole-3-carboxaldehyde, 1-methyl,3-formyl-1-methylindole,1-methyl-3-formylindole,n-methyl-3-formylindole,indole-3-carboxaldehyde, 1-methyl,3-formyl-1-methyl-1h-indole,n-methyl-3-indolecarboxaldehyde PubChem CID: 87894 IUPAC Name: 1-methylindole-3-carbaldehyde SMILES: CN1C=C(C=O)C2=CC=CC=C12
| PubChem CID | 87894 |
|---|---|
| CAS | 19012-03-4 |
| Molecular Weight (g/mol) | 159.19 |
| MDL Number | MFCD00014570 |
| SMILES | CN1C=C(C=O)C2=CC=CC=C12 |
| Synonym | 1-methyl-1h-indole-3-carbaldehyde,1-methylindole-3-carboxaldehyde,1-methyl-indole-3-carbaldehyde,1h-indole-3-carboxaldehyde, 1-methyl,3-formyl-1-methylindole,1-methyl-3-formylindole,n-methyl-3-formylindole,indole-3-carboxaldehyde, 1-methyl,3-formyl-1-methyl-1h-indole,n-methyl-3-indolecarboxaldehyde |
| IUPAC Name | 1-methylindole-3-carbaldehyde |
| InChI Key | KXYBYRKRRGSZCX-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |