Organoheterocyclic compounds
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D-Biotin, Fisher BioReagents
CAS: 58-85-5 Molecular Formula: C10H16N2O3S Molecular Weight (g/mol): 244.31 MDL Number: MFCD00005541 InChI Key: YBJHBAHKTGYVGT-UHFFFAOYNA-N Synonym: biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin PubChem CID: 171548 ChEBI: CHEBI:15956 IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid SMILES: OC(=O)CCCCC1SCC2NC(=O)NC12
| PubChem CID | 171548 |
|---|---|
| CAS | 58-85-5 |
| Molecular Weight (g/mol) | 244.31 |
| ChEBI | CHEBI:15956 |
| MDL Number | MFCD00005541 |
| SMILES | OC(=O)CCCCC1SCC2NC(=O)NC12 |
| Synonym | biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin |
| IUPAC Name | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid |
| InChI Key | YBJHBAHKTGYVGT-UHFFFAOYNA-N |
| Molecular Formula | C10H16N2O3S |
8-Chlorotheophylline 98.0+%, TCI America™
CAS: 85-18-7 Molecular Formula: C7H7ClN4O2 Molecular Weight (g/mol): 214.61 MDL Number: MFCD00005581 InChI Key: RYIGNEOBDRVTHA-UHFFFAOYSA-N Synonym: 8-chlorotheophylline,1,3-dimethyl-8-chloroxanthine,theophylline, 8-chloro,8-chloro-theophylline,unii-ge2ua340fm,8-chloro-1,3-dimethyl-1h-purine-2,6 3h,7h-dione,1h-purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl,8-chloro-3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione,ge2ua340fm,chembl88611 PubChem CID: 10661 ChEBI: CHEBI:59771 IUPAC Name: 8-chloro-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C2=C(NC(Cl)=N2)C(=O)N(C)C1=O
| PubChem CID | 10661 |
|---|---|
| CAS | 85-18-7 |
| Molecular Weight (g/mol) | 214.61 |
| ChEBI | CHEBI:59771 |
| MDL Number | MFCD00005581 |
| SMILES | CN1C2=C(NC(Cl)=N2)C(=O)N(C)C1=O |
| Synonym | 8-chlorotheophylline,1,3-dimethyl-8-chloroxanthine,theophylline, 8-chloro,8-chloro-theophylline,unii-ge2ua340fm,8-chloro-1,3-dimethyl-1h-purine-2,6 3h,7h-dione,1h-purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl,8-chloro-3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione,ge2ua340fm,chembl88611 |
| IUPAC Name | 8-chloro-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione |
| InChI Key | RYIGNEOBDRVTHA-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClN4O2 |
3,4-Thiophenedicarboxylic Anhydride 98.0+%, TCI America™
CAS: 6007-85-8 Molecular Formula: C6H2O3S Molecular Weight (g/mol): 154.139 InChI Key: XQTUSPVIMZCNPC-UHFFFAOYSA-N PubChem CID: 315608 IUPAC Name: thieno[3,4-c]furan-1,3-dione SMILES: C1=C2C(=CS1)C(=O)OC2=O
| PubChem CID | 315608 |
|---|---|
| CAS | 6007-85-8 |
| Molecular Weight (g/mol) | 154.139 |
| SMILES | C1=C2C(=CS1)C(=O)OC2=O |
| IUPAC Name | thieno[3,4-c]furan-1,3-dione |
| InChI Key | XQTUSPVIMZCNPC-UHFFFAOYSA-N |
| Molecular Formula | C6H2O3S |
2-(4-Chlorophenyl)benzimidazole 98.0+%, TCI America™
CAS: 1019-85-8 Molecular Formula: C13H9ClN2 Molecular Weight (g/mol): 228.679 InChI Key: PTXUJRTVWRYYTE-UHFFFAOYSA-N Synonym: 2-4-chlorophenyl benzimidazole,2-4-chlorophenyl-1h-benzoimidazole,2-4-chlorophenyl-1h-benzimidazole,2-4-chloro-phenyl-1h-benzoimidazole,1h-benzimidazole, 2-4-chlorophenyl,2-4-chlorophenyl-1h-benzo d imidazole,2-4-chlorophenyl-1h-1,3-benzodiazole,acmc-2097xz,1h-benzimidazole,2-4-chlorophenyl PubChem CID: 759417 IUPAC Name: 2-(4-chlorophenyl)-1H-benzimidazole SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)Cl
| PubChem CID | 759417 |
|---|---|
| CAS | 1019-85-8 |
| Molecular Weight (g/mol) | 228.679 |
| SMILES | C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)Cl |
| Synonym | 2-4-chlorophenyl benzimidazole,2-4-chlorophenyl-1h-benzoimidazole,2-4-chlorophenyl-1h-benzimidazole,2-4-chloro-phenyl-1h-benzoimidazole,1h-benzimidazole, 2-4-chlorophenyl,2-4-chlorophenyl-1h-benzo d imidazole,2-4-chlorophenyl-1h-1,3-benzodiazole,acmc-2097xz,1h-benzimidazole,2-4-chlorophenyl |
| IUPAC Name | 2-(4-chlorophenyl)-1H-benzimidazole |
| InChI Key | PTXUJRTVWRYYTE-UHFFFAOYSA-N |
| Molecular Formula | C13H9ClN2 |
2,3,5-Tribromopyridine 98.0+%, TCI America™
CAS: 75806-85-8 Molecular Formula: C5H2Br3N Molecular Weight (g/mol): 315.79 MDL Number: MFCD00233999 InChI Key: BBHYMJRPJFVNPI-UHFFFAOYSA-N PubChem CID: 628798 IUPAC Name: 2,3,5-tribromopyridine SMILES: C1=C(C=NC(=C1Br)Br)Br
| PubChem CID | 628798 |
|---|---|
| CAS | 75806-85-8 |
| Molecular Weight (g/mol) | 315.79 |
| MDL Number | MFCD00233999 |
| SMILES | C1=C(C=NC(=C1Br)Br)Br |
| IUPAC Name | 2,3,5-tribromopyridine |
| InChI Key | BBHYMJRPJFVNPI-UHFFFAOYSA-N |
| Molecular Formula | C5H2Br3N |
3-Bromo-6,9-diphenylcarbazole 98.0+%, TCI America™
CAS: 1160294-85-8 Molecular Formula: C24H16BrN Molecular Weight (g/mol): 398.30 MDL Number: MFCD20257783 InChI Key: JBEQRROTSDUCGC-UHFFFAOYSA-N PubChem CID: 57746295 IUPAC Name: 3-bromo-6,9-diphenyl-9H-carbazole SMILES: BrC1=CC2=C(C=C1)N(C1=C2C=C(C=C1)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 57746295 |
|---|---|
| CAS | 1160294-85-8 |
| Molecular Weight (g/mol) | 398.30 |
| MDL Number | MFCD20257783 |
| SMILES | BrC1=CC2=C(C=C1)N(C1=C2C=C(C=C1)C1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | 3-bromo-6,9-diphenyl-9H-carbazole |
| InChI Key | JBEQRROTSDUCGC-UHFFFAOYSA-N |
| Molecular Formula | C24H16BrN |
N-(2,2,2-Trichloroethoxycarbonyloxy)succinimide 98.0+%, TCI America™
CAS: 66065-85-8 Molecular Formula: C7H6Cl3NO5 Molecular Weight (g/mol): 290.477 MDL Number: MFCD00075216 InChI Key: WBZXNGAFYBGQFE-UHFFFAOYSA-N Synonym: 2,5-dioxopyrrolidin-1-yl 2,2,2-trichloroethyl carbonate,succinimidyl 2,2,2-trichloroethyl carbonate,n-2,2,2-trichloroethoxycarbonyloxy succinimide,troc-osu, succinimidyl-2,2,2-trichloroethyl carbonate,succinimidyl 2,2,2-trichloroethyl carbon,zlchem 876,acmc-20aajg,n-succinimidyl 2,2,2-trichloroethyl carbonate PubChem CID: 4192178 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2,2,2-trichloroethyl carbonate SMILES: C1CC(=O)N(C1=O)OC(=O)OCC(Cl)(Cl)Cl
| PubChem CID | 4192178 |
|---|---|
| CAS | 66065-85-8 |
| Molecular Weight (g/mol) | 290.477 |
| MDL Number | MFCD00075216 |
| SMILES | C1CC(=O)N(C1=O)OC(=O)OCC(Cl)(Cl)Cl |
| Synonym | 2,5-dioxopyrrolidin-1-yl 2,2,2-trichloroethyl carbonate,succinimidyl 2,2,2-trichloroethyl carbonate,n-2,2,2-trichloroethoxycarbonyloxy succinimide,troc-osu, succinimidyl-2,2,2-trichloroethyl carbonate,succinimidyl 2,2,2-trichloroethyl carbon,zlchem 876,acmc-20aajg,n-succinimidyl 2,2,2-trichloroethyl carbonate |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 2,2,2-trichloroethyl carbonate |
| InChI Key | WBZXNGAFYBGQFE-UHFFFAOYSA-N |
| Molecular Formula | C7H6Cl3NO5 |
Chlorohydroquinone, Spectrum™ Chemical
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CAS: 615-67-8
| CAS | 615-67-8 |
|---|
NBD-COCl 92.0+%, TCI America™
CAS: 140164-85-8 Molecular Formula: C9H7ClN4O4 Molecular Weight (g/mol): 270.629 MDL Number: MFCD02093432 InChI Key: BLKGIXBLRWZLKS-UHFFFAOYSA-N Synonym: 4-(N-Chloroformylmethyl-N-methylamino)-7-nitro-2,1,3-benzoxadiazole PubChem CID: 23146122 IUPAC Name: 2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetyl chloride SMILES: CN(CC(=O)Cl)C1=CC=C(C2=NON=C12)[N+](=O)[O-]
| PubChem CID | 23146122 |
|---|---|
| CAS | 140164-85-8 |
| Molecular Weight (g/mol) | 270.629 |
| MDL Number | MFCD02093432 |
| SMILES | CN(CC(=O)Cl)C1=CC=C(C2=NON=C12)[N+](=O)[O-] |
| Synonym | 4-(N-Chloroformylmethyl-N-methylamino)-7-nitro-2,1,3-benzoxadiazole |
| IUPAC Name | 2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetyl chloride |
| InChI Key | BLKGIXBLRWZLKS-UHFFFAOYSA-N |
| Molecular Formula | C9H7ClN4O4 |
1,4-Cyclohexanedione bis(ethylene acetal), 99%
CAS: 183-97-1 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.234 MDL Number: MFCD00010851 InChI Key: YSMVSEYPOBXSOK-UHFFFAOYSA-N Synonym: 1,4-cyclohexanedione bis ethylene ketal,1,4,9,12-tetraoxadispiro 4.2.4.2 tetradecane,1,4-cyclohexanedione bis ethylene acetal,1,4,9,12-tetraoxadispiro 4,2,4,2 tetradecane,1,4-cyclohexanedione bis ethyleneketal,1,4,9,12-tetraoxadispiro 4.2.4^ 8 .2^ 5 tetradecane,1,4,9,12-tetraoxadispiro 4.2.4?.2? tetradecane,maybridge1_006651,1,4-cyclohexanedione ethyleneketal PubChem CID: 135986 IUPAC Name: 1,4,9,12-tetraoxadispiro[4.2.4^{8}.2^{5}]tetradecane SMILES: C1CC2(CCC13OCCO3)OCCO2
| PubChem CID | 135986 |
|---|---|
| CAS | 183-97-1 |
| Molecular Weight (g/mol) | 200.234 |
| MDL Number | MFCD00010851 |
| SMILES | C1CC2(CCC13OCCO3)OCCO2 |
| Synonym | 1,4-cyclohexanedione bis ethylene ketal,1,4,9,12-tetraoxadispiro 4.2.4.2 tetradecane,1,4-cyclohexanedione bis ethylene acetal,1,4,9,12-tetraoxadispiro 4,2,4,2 tetradecane,1,4-cyclohexanedione bis ethyleneketal,1,4,9,12-tetraoxadispiro 4.2.4^ 8 .2^ 5 tetradecane,1,4,9,12-tetraoxadispiro 4.2.4?.2? tetradecane,maybridge1_006651,1,4-cyclohexanedione ethyleneketal |
| IUPAC Name | 1,4,9,12-tetraoxadispiro[4.2.4^{8}.2^{5}]tetradecane |
| InChI Key | YSMVSEYPOBXSOK-UHFFFAOYSA-N |
| Molecular Formula | C10H16O4 |
4,5,6-Trifluoropyrimidine, 97%, Thermo Scientific Chemicals
CAS: 17573-78-3 Molecular Formula: C4HF3N2 Molecular Weight (g/mol): 134.06 MDL Number: MFCD05662363 InChI Key: AQKOJKCYBNUFLU-UHFFFAOYSA-N Synonym: pyrimidine, 4,5,6-trifluoro,pubchem6922,acmc-1bol2,pyrimidine,4,5,6-trifluoro,4,5,6-trifluoro-1,3-diazine,4,5,6-tris fluoranyl pyrimidine,4,5,6-trifluoropyrimidine,4,5,6-trifluoro pyrimidine,pyrimidine, 4,5,6-trifluoro-8ci,9ci PubChem CID: 3572764 IUPAC Name: 4,5,6-trifluoropyrimidine SMILES: FC1=NC=NC(F)=C1F
| PubChem CID | 3572764 |
|---|---|
| CAS | 17573-78-3 |
| Molecular Weight (g/mol) | 134.06 |
| MDL Number | MFCD05662363 |
| SMILES | FC1=NC=NC(F)=C1F |
| Synonym | pyrimidine, 4,5,6-trifluoro,pubchem6922,acmc-1bol2,pyrimidine,4,5,6-trifluoro,4,5,6-trifluoro-1,3-diazine,4,5,6-tris fluoranyl pyrimidine,4,5,6-trifluoropyrimidine,4,5,6-trifluoro pyrimidine,pyrimidine, 4,5,6-trifluoro-8ci,9ci |
| IUPAC Name | 4,5,6-trifluoropyrimidine |
| InChI Key | AQKOJKCYBNUFLU-UHFFFAOYSA-N |
| Molecular Formula | C4HF3N2 |
1,2-Epoxydodecane 95.0+%, TCI America™
CAS: 2855-19-8 Molecular Formula: C12H24O Molecular Weight (g/mol): 184.323 MDL Number: MFCD00005150 InChI Key: MPGABYXKKCLIRW-UHFFFAOYSA-N Synonym: 1,2-epoxydodecane,1-dodecene oxide,oxirane, decyl,decyloxirane,decyl oxirane,dodecene epoxide,1,2-dodecane oxide,1,2-dodecene oxide,1,2-epoxy-n-dodecene,nedox 1200 PubChem CID: 17858 IUPAC Name: 2-decyloxirane SMILES: CCCCCCCCCCC1CO1
| PubChem CID | 17858 |
|---|---|
| CAS | 2855-19-8 |
| Molecular Weight (g/mol) | 184.323 |
| MDL Number | MFCD00005150 |
| SMILES | CCCCCCCCCCC1CO1 |
| Synonym | 1,2-epoxydodecane,1-dodecene oxide,oxirane, decyl,decyloxirane,decyl oxirane,dodecene epoxide,1,2-dodecane oxide,1,2-dodecene oxide,1,2-epoxy-n-dodecene,nedox 1200 |
| IUPAC Name | 2-decyloxirane |
| InChI Key | MPGABYXKKCLIRW-UHFFFAOYSA-N |
| Molecular Formula | C12H24O |
Pyridazine, 98+%
CAS: 289-80-5 Molecular Formula: C4H4N2 Molecular Weight (g/mol): 80.09 MDL Number: MFCD00006463 InChI Key: PBMFSQRYOILNGV-UHFFFAOYSA-N Synonym: orthodiazine,1,2-diazine,o-diazine,1,2-diazabenzene,pyridazin,1,2-diazin,oizine,pyridazine,pubchem17789,acmc-209h5x PubChem CID: 9259 ChEBI: CHEBI:30954 IUPAC Name: pyridazine SMILES: C1=CC=NN=C1
| PubChem CID | 9259 |
|---|---|
| CAS | 289-80-5 |
| Molecular Weight (g/mol) | 80.09 |
| ChEBI | CHEBI:30954 |
| MDL Number | MFCD00006463 |
| SMILES | C1=CC=NN=C1 |
| Synonym | orthodiazine,1,2-diazine,o-diazine,1,2-diazabenzene,pyridazin,1,2-diazin,oizine,pyridazine,pubchem17789,acmc-209h5x |
| IUPAC Name | pyridazine |
| InChI Key | PBMFSQRYOILNGV-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2 |
(+)-1,1'-Bis[(2R,5R)-2,5-diethyl-1-phospholanyl]ferrocene, 97+%, Thermo Scientific Chemicals
CAS: 147762-89-8 Molecular Formula: C26H40FeP2 Molecular Weight (g/mol): 470.40 MDL Number: MFCD09265149 InChI Key: MXOVWRYEUJWIFP-UHFFFAOYNA-N Synonym: +-1,1-bis 2r,5r-2,5-diethyl-1-phospholanyl ferrocene, 97+% PubChem CID: 131675863 SMILES: [Fe].CC[C@@H]1CC[C@@H](CC)P1c1cccc1.CC[C@@H]1CC[C@@H](CC)P1c1cccc1
| PubChem CID | 131675863 |
|---|---|
| CAS | 147762-89-8 |
| Molecular Weight (g/mol) | 470.40 |
| MDL Number | MFCD09265149 |
| SMILES | [Fe].CC[C@@H]1CC[C@@H](CC)P1c1cccc1.CC[C@@H]1CC[C@@H](CC)P1c1cccc1 |
| Synonym | +-1,1-bis 2r,5r-2,5-diethyl-1-phospholanyl ferrocene, 97+% |
| InChI Key | MXOVWRYEUJWIFP-UHFFFAOYNA-N |
| Molecular Formula | C26H40FeP2 |
2-Bromo-5-nitrothiazole 97.0+%, TCI America™
CAS: 3034-48-8 Molecular Formula: C3HBrN2O2S Molecular Weight (g/mol): 209.02 MDL Number: MFCD00005317 InChI Key: ANIJFZVZXZQFDH-UHFFFAOYSA-N Synonym: 2-bromo-5-nitrothiazole,thiazole, 2-bromo-5-nitro,5-nitro-2-bromothiazole,pubchem11070,acmc-1ad6f,2-bromo-5-nitro-thiazole,4-27-00-00963 beilstein handbook reference,2-bromo-5-nitrothiozole,# PubChem CID: 18211 IUPAC Name: 2-bromo-5-nitro-1,3-thiazole SMILES: [O-][N+](=O)C1=CN=C(Br)S1
| PubChem CID | 18211 |
|---|---|
| CAS | 3034-48-8 |
| Molecular Weight (g/mol) | 209.02 |
| MDL Number | MFCD00005317 |
| SMILES | [O-][N+](=O)C1=CN=C(Br)S1 |
| Synonym | 2-bromo-5-nitrothiazole,thiazole, 2-bromo-5-nitro,5-nitro-2-bromothiazole,pubchem11070,acmc-1ad6f,2-bromo-5-nitro-thiazole,4-27-00-00963 beilstein handbook reference,2-bromo-5-nitrothiozole,# |
| IUPAC Name | 2-bromo-5-nitro-1,3-thiazole |
| InChI Key | ANIJFZVZXZQFDH-UHFFFAOYSA-N |
| Molecular Formula | C3HBrN2O2S |