Organoheterocyclic compounds
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Pyrimethamine 98.0+%, TCI America™
CAS: 58-14-0 Molecular Formula: C12H13ClN4 Molecular Weight (g/mol): 248.71 MDL Number: MFCD00057350 InChI Key: WKSAUQYGYAYLPV-UHFFFAOYSA-N Synonym: pyrimethamine,chloridine,daraprim,chloridin,diaminopyritamin,5-4-chlorophenyl-6-ethylpyrimidine-2,4-diamine,ethylpyrimidine,pirimetamina,chloridyn,malocide PubChem CID: 4993 ChEBI: CHEBI:8673 IUPAC Name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine SMILES: CCC1=NC(N)=NC(N)=C1C1=CC=C(Cl)C=C1
| PubChem CID | 4993 |
|---|---|
| CAS | 58-14-0 |
| Molecular Weight (g/mol) | 248.71 |
| ChEBI | CHEBI:8673 |
| MDL Number | MFCD00057350 |
| SMILES | CCC1=NC(N)=NC(N)=C1C1=CC=C(Cl)C=C1 |
| Synonym | pyrimethamine,chloridine,daraprim,chloridin,diaminopyritamin,5-4-chlorophenyl-6-ethylpyrimidine-2,4-diamine,ethylpyrimidine,pirimetamina,chloridyn,malocide |
| IUPAC Name | 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |
| InChI Key | WKSAUQYGYAYLPV-UHFFFAOYSA-N |
| Molecular Formula | C12H13ClN4 |
2-(1-Piperazinylcarbonyl)-1,4-benzodioxane Hydrochloride 98.0+%, TCI America™
CAS: 70918-74-0 Molecular Formula: C13H17ClN2O3 Molecular Weight (g/mol): 284.74 MDL Number: MFCD00729051 InChI Key: TUKBWYXLYINULI-UHFFFAOYSA-N Synonym: 1-[(1,4-Benzodioxan-2-yl)carbonyl]piperazine Hydrochloride PubChem CID: 2822434 IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride SMILES: C1CN(CCN1)C(=O)C2COC3=CC=CC=C3O2.Cl
| PubChem CID | 2822434 |
|---|---|
| CAS | 70918-74-0 |
| Molecular Weight (g/mol) | 284.74 |
| MDL Number | MFCD00729051 |
| SMILES | C1CN(CCN1)C(=O)C2COC3=CC=CC=C3O2.Cl |
| Synonym | 1-[(1,4-Benzodioxan-2-yl)carbonyl]piperazine Hydrochloride |
| IUPAC Name | 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone;hydrochloride |
| InChI Key | TUKBWYXLYINULI-UHFFFAOYSA-N |
| Molecular Formula | C13H17ClN2O3 |
Pyrazole-3,5-dicarboxylic Acid Monohydrate 98.0+%, TCI America™
CAS: 3112-31-0 Molecular Formula: C5H4N2O4 Molecular Weight (g/mol): 156.097 MDL Number: MFCD00005235 InChI Key: YDMVPJZBYSWOOP-UHFFFAOYSA-N Synonym: 3,5-pyrazoledicarboxylic acid,pyrazole-3,5-dicarboxylic acid,pyrazole-3,5-dicarboxylic acid monohydrate,3,5-pyrazol dicarboxylic acid,3,5-pyrazole dicarboxylic acid,zlchem 726,3,5-dicarboxypyrazole,acmc-20a0hc,ksc223c6j,3,5-pyrazole-dicarboxylic acid PubChem CID: 76559 IUPAC Name: 1H-pyrazole-3,5-dicarboxylic acid SMILES: C1=C(NN=C1C(=O)O)C(=O)O
| PubChem CID | 76559 |
|---|---|
| CAS | 3112-31-0 |
| Molecular Weight (g/mol) | 156.097 |
| MDL Number | MFCD00005235 |
| SMILES | C1=C(NN=C1C(=O)O)C(=O)O |
| Synonym | 3,5-pyrazoledicarboxylic acid,pyrazole-3,5-dicarboxylic acid,pyrazole-3,5-dicarboxylic acid monohydrate,3,5-pyrazol dicarboxylic acid,3,5-pyrazole dicarboxylic acid,zlchem 726,3,5-dicarboxypyrazole,acmc-20a0hc,ksc223c6j,3,5-pyrazole-dicarboxylic acid |
| IUPAC Name | 1H-pyrazole-3,5-dicarboxylic acid |
| InChI Key | YDMVPJZBYSWOOP-UHFFFAOYSA-N |
| Molecular Formula | C5H4N2O4 |
1-(2-Pyridyl)piperazine 98.0+%, TCI America™
CAS: 34803-66-2 Molecular Formula: C9H13N3 Molecular Weight (g/mol): 163.224 MDL Number: MFCD00006216 InChI Key: GZRKXKUVVPSREJ-UHFFFAOYSA-N Synonym: 1-2-pyridyl piperazine,1-pyridin-2-yl piperazine,1-pyridin-2-yl-piperazine,1-2-pyridinyl piperazine,piperazine, 1-2-pyridinyl,2-pyridylpiperazine,pyridinylpiperazine,2-1-piperazinyl pyridine PubChem CID: 94459 IUPAC Name: 1-pyridin-2-ylpiperazine SMILES: C1CN(CCN1)C2=CC=CC=N2
| PubChem CID | 94459 |
|---|---|
| CAS | 34803-66-2 |
| Molecular Weight (g/mol) | 163.224 |
| MDL Number | MFCD00006216 |
| SMILES | C1CN(CCN1)C2=CC=CC=N2 |
| Synonym | 1-2-pyridyl piperazine,1-pyridin-2-yl piperazine,1-pyridin-2-yl-piperazine,1-2-pyridinyl piperazine,piperazine, 1-2-pyridinyl,2-pyridylpiperazine,pyridinylpiperazine,2-1-piperazinyl pyridine |
| IUPAC Name | 1-pyridin-2-ylpiperazine |
| InChI Key | GZRKXKUVVPSREJ-UHFFFAOYSA-N |
| Molecular Formula | C9H13N3 |
3-Propylthiophene 97.0+%, TCI America™
CAS: 1518-75-8 Molecular Formula: C7H10S Molecular Weight (g/mol): 126.22 MDL Number: MFCD00143183 InChI Key: QZNFRMXKQCIPQY-UHFFFAOYSA-N PubChem CID: 519073 IUPAC Name: 3-propylthiophene SMILES: CCCC1=CSC=C1
| PubChem CID | 519073 |
|---|---|
| CAS | 1518-75-8 |
| Molecular Weight (g/mol) | 126.22 |
| MDL Number | MFCD00143183 |
| SMILES | CCCC1=CSC=C1 |
| IUPAC Name | 3-propylthiophene |
| InChI Key | QZNFRMXKQCIPQY-UHFFFAOYSA-N |
| Molecular Formula | C7H10S |
Pyromellitic Diimide 97.0+%, TCI America™
CAS: 2550-73-4 Molecular Formula: C10H4N2O4 Molecular Weight (g/mol): 216.152 MDL Number: MFCD00005004 InChI Key: UGQZLDXDWSPAOM-UHFFFAOYSA-N Synonym: pyromellitic diimide,pyromellitimide,pyromellitic acid diimide,benzo 1,2-c:4,5-c' dipyrrole-1,3,5,7 2h,6h-tetrone,unii-32xa0w314g,1,2,4,5-benzenetetracarboxylic acid diimide,1,2,4,5-benzenetetracarboxylic 1,2:4,5-diimide,benzene-1,2,4,5-tetracarboxylic diimide,pyrrolo 3,4-f isoindole-1,3,5,7-tetrone,pyrrolo 3,4-f isoindole-1,3,5,7 2h,6h-tetrone PubChem CID: 75696 IUPAC Name: pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone SMILES: C1=C2C(=CC3=C1C(=O)NC3=O)C(=O)NC2=O
| PubChem CID | 75696 |
|---|---|
| CAS | 2550-73-4 |
| Molecular Weight (g/mol) | 216.152 |
| MDL Number | MFCD00005004 |
| SMILES | C1=C2C(=CC3=C1C(=O)NC3=O)C(=O)NC2=O |
| Synonym | pyromellitic diimide,pyromellitimide,pyromellitic acid diimide,benzo 1,2-c:4,5-c' dipyrrole-1,3,5,7 2h,6h-tetrone,unii-32xa0w314g,1,2,4,5-benzenetetracarboxylic acid diimide,1,2,4,5-benzenetetracarboxylic 1,2:4,5-diimide,benzene-1,2,4,5-tetracarboxylic diimide,pyrrolo 3,4-f isoindole-1,3,5,7-tetrone,pyrrolo 3,4-f isoindole-1,3,5,7 2h,6h-tetrone |
| IUPAC Name | pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone |
| InChI Key | UGQZLDXDWSPAOM-UHFFFAOYSA-N |
| Molecular Formula | C10H4N2O4 |
Potassium Tris(3,5-dimethylpyrazol-1-yl)borohydride 98.0+%, TCI America™
CAS: 17567-17-8 Molecular Formula: C15H22BKN6 Molecular Weight (g/mol): 336.29 MDL Number: MFCD00040342 InChI Key: NTWZGFNSHCFHIJ-UHFFFAOYSA-N Synonym: potassium hydrotris 3,5-dimethylpyrazol-1-yl borate,potassium;tris 3,5-dimethylpyrazol-1-yl boron 1-,potassium tri 3,5-dimethyl-1-pyrazolyl borohydride,potassium tris 3,5-dimethyl-1h-pyrazol-1-yl hydrido borate 1- IUPAC Name: potassium tris(3,5-dimethyl-1H-pyrazol-1-yl)boranuide SMILES: [K+].CC1=NN([BH-](N2N=C(C)C=C2C)N2N=C(C)C=C2C)C(C)=C1
| CAS | 17567-17-8 |
|---|---|
| Molecular Weight (g/mol) | 336.29 |
| MDL Number | MFCD00040342 |
| SMILES | [K+].CC1=NN([BH-](N2N=C(C)C=C2C)N2N=C(C)C=C2C)C(C)=C1 |
| Synonym | potassium hydrotris 3,5-dimethylpyrazol-1-yl borate,potassium;tris 3,5-dimethylpyrazol-1-yl boron 1-,potassium tri 3,5-dimethyl-1-pyrazolyl borohydride,potassium tris 3,5-dimethyl-1h-pyrazol-1-yl hydrido borate 1- |
| IUPAC Name | potassium tris(3,5-dimethyl-1H-pyrazol-1-yl)boranuide |
| InChI Key | NTWZGFNSHCFHIJ-UHFFFAOYSA-N |
| Molecular Formula | C15H22BKN6 |
(1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane 94.0+%, TCI America™
CAS: 5718-75-2 Molecular Formula: C10H18S Molecular Weight (g/mol): 170.314 InChI Key: FAXNZPOZWCWYBD-HRDYMLBCSA-N PubChem CID: 76956351 IUPAC Name: (1S,4R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane SMILES: CC1CCC2CC1SC2(C)C
| PubChem CID | 76956351 |
|---|---|
| CAS | 5718-75-2 |
| Molecular Weight (g/mol) | 170.314 |
| SMILES | CC1CCC2CC1SC2(C)C |
| IUPAC Name | (1S,4R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane |
| InChI Key | FAXNZPOZWCWYBD-HRDYMLBCSA-N |
| Molecular Formula | C10H18S |
Butyl Glycidyl Ether 98.0+%, TCI America™
CAS: 2426-08-6 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00005145 InChI Key: YSUQLAYJZDEMOT-UHFFFAOYNA-N Synonym: butyl glycidyl ether,n-butyl glycidyl ether,2-butoxymethyl oxirane,oxirane, butoxymethyl,1-butoxy-2,3-epoxypropane,glycidyl butyl ether,butoxymethyl oxirane,ether, butyl glycidyl,glycidyl n-butyl ether,butyl 2,3-epoxypropyl ether PubChem CID: 17049 IUPAC Name: 2-(butoxymethyl)oxirane SMILES: CCCCOCC1CO1
| PubChem CID | 17049 |
|---|---|
| CAS | 2426-08-6 |
| Molecular Weight (g/mol) | 130.19 |
| MDL Number | MFCD00005145 |
| SMILES | CCCCOCC1CO1 |
| Synonym | butyl glycidyl ether,n-butyl glycidyl ether,2-butoxymethyl oxirane,oxirane, butoxymethyl,1-butoxy-2,3-epoxypropane,glycidyl butyl ether,butoxymethyl oxirane,ether, butyl glycidyl,glycidyl n-butyl ether,butyl 2,3-epoxypropyl ether |
| IUPAC Name | 2-(butoxymethyl)oxirane |
| InChI Key | YSUQLAYJZDEMOT-UHFFFAOYNA-N |
| Molecular Formula | C7H14O2 |
1,3-Butadiene Monoepoxide 97.0+%, TCI America™
CAS: 930-22-3 Molecular Formula: C4H6O Molecular Weight (g/mol): 70.091 MDL Number: MFCD00005149 InChI Key: GXBYFVGCMPJVJX-UHFFFAOYSA-N Synonym: butadiene monoxide,oxirane, ethenyl,3,4-epoxy-1-butene,2-vinyloxirane,butadiene epoxide,1,2-epoxy-3-butene,vinyloxirane,butadiene oxide,butadiene monoepoxide,butadiene monooxide PubChem CID: 13586 IUPAC Name: 2-ethenyloxirane SMILES: C=CC1CO1
| PubChem CID | 13586 |
|---|---|
| CAS | 930-22-3 |
| Molecular Weight (g/mol) | 70.091 |
| MDL Number | MFCD00005149 |
| SMILES | C=CC1CO1 |
| Synonym | butadiene monoxide,oxirane, ethenyl,3,4-epoxy-1-butene,2-vinyloxirane,butadiene epoxide,1,2-epoxy-3-butene,vinyloxirane,butadiene oxide,butadiene monoepoxide,butadiene monooxide |
| IUPAC Name | 2-ethenyloxirane |
| InChI Key | GXBYFVGCMPJVJX-UHFFFAOYSA-N |
| Molecular Formula | C4H6O |
2-(Chloromethyl)-1,2-epoxypropane 98.0+%, TCI America™
CAS: 598-09-4 Molecular Formula: C4H7ClO Molecular Weight (g/mol): 106.549 MDL Number: MFCD00052487 InChI Key: VVHFXJOCUKBZFS-UHFFFAOYSA-N Synonym: 2-chloromethyl-2-methyloxirane,oxirane, 2-chloromethyl-2-methyl,2-chloromethyl-2-methyl-oxirane,2-chloromethyl-1,2-epoxypropane,methyl epichlorohydrin,2-methylepichlorohydrin,acmc-209mfx,beta-methylepichlorohydrin,ksc493o4b PubChem CID: 95220 IUPAC Name: 2-(chloromethyl)-2-methyloxirane SMILES: CC1(CO1)CCl
| PubChem CID | 95220 |
|---|---|
| CAS | 598-09-4 |
| Molecular Weight (g/mol) | 106.549 |
| MDL Number | MFCD00052487 |
| SMILES | CC1(CO1)CCl |
| Synonym | 2-chloromethyl-2-methyloxirane,oxirane, 2-chloromethyl-2-methyl,2-chloromethyl-2-methyl-oxirane,2-chloromethyl-1,2-epoxypropane,methyl epichlorohydrin,2-methylepichlorohydrin,acmc-209mfx,beta-methylepichlorohydrin,ksc493o4b |
| IUPAC Name | 2-(chloromethyl)-2-methyloxirane |
| InChI Key | VVHFXJOCUKBZFS-UHFFFAOYSA-N |
| Molecular Formula | C4H7ClO |
(R)-(+)-Propylene Oxide 98.0+%, TCI America™
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 |
2,5-Diphenyloxazole 99.0+%, TCI America™
CAS: 92-71-7 Molecular Formula: C15H11NO Molecular Weight (g/mol): 221.26 MDL Number: MFCD00005306 InChI Key: CNRNYORZJGVOSY-UHFFFAOYSA-N Synonym: 2,5-diphenyloxazole,oxazole, 2,5-diphenyl,tritosol,2,5-diphenyl-oxazole,ppo scintillator,dpo scintillator,usaf ek-6775,ppo van,ppo,ppo scintillator van PubChem CID: 7105 IUPAC Name: 2,5-diphenyl-1,3-oxazole SMILES: O1C(=CN=C1C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 7105 |
|---|---|
| CAS | 92-71-7 |
| Molecular Weight (g/mol) | 221.26 |
| MDL Number | MFCD00005306 |
| SMILES | O1C(=CN=C1C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2,5-diphenyloxazole,oxazole, 2,5-diphenyl,tritosol,2,5-diphenyl-oxazole,ppo scintillator,dpo scintillator,usaf ek-6775,ppo van,ppo,ppo scintillator van |
| IUPAC Name | 2,5-diphenyl-1,3-oxazole |
| InChI Key | CNRNYORZJGVOSY-UHFFFAOYSA-N |
| Molecular Formula | C15H11NO |
gamma-Hexanolactone 98.0+%, TCI America™
CAS: 695-06-7 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00005401 InChI Key: JBFHTYHTHYHCDJ-UHFFFAOYNA-N Synonym: gamma-caprolactone,gamma-hexalactone,4-hexanolide,gamma-hexanolactone,6-caprolactone,tonkalide,toukalide,2 3h-furanone, 5-ethyldihydro,4-ethyl-4-butanolide,5-ethyldihydrofuran-2 3h-one PubChem CID: 12756 ChEBI: CHEBI:85235 IUPAC Name: 5-ethyloxolan-2-one SMILES: CCC1CCC(=O)O1
| PubChem CID | 12756 |
|---|---|
| CAS | 695-06-7 |
| Molecular Weight (g/mol) | 114.14 |
| ChEBI | CHEBI:85235 |
| MDL Number | MFCD00005401 |
| SMILES | CCC1CCC(=O)O1 |
| Synonym | gamma-caprolactone,gamma-hexalactone,4-hexanolide,gamma-hexanolactone,6-caprolactone,tonkalide,toukalide,2 3h-furanone, 5-ethyldihydro,4-ethyl-4-butanolide,5-ethyldihydrofuran-2 3h-one |
| IUPAC Name | 5-ethyloxolan-2-one |
| InChI Key | JBFHTYHTHYHCDJ-UHFFFAOYNA-N |
| Molecular Formula | C6H10O2 |
delta-Decanolactone 97.0+%, TCI America™
CAS: 705-86-2 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.25 MDL Number: MFCD00006649 InChI Key: GHBSPIPJMLAMEP-UHFFFAOYNA-N Synonym: delta-decalactone,6-pentyltetrahydro-2h-pyran-2-one,5-decanolide,decanolide-1,5,5-decalactone,decan-5-olide,amyl-delta-valerolactone,delta-decanolactone,5-pentyl-5-pentanolide,2h-pyran-2-one, tetrahydro-6-pentyl PubChem CID: 12810 ChEBI: CHEBI:87327 IUPAC Name: 6-pentyloxan-2-one SMILES: CCCCCC1CCCC(=O)O1
| PubChem CID | 12810 |
|---|---|
| CAS | 705-86-2 |
| Molecular Weight (g/mol) | 170.25 |
| ChEBI | CHEBI:87327 |
| MDL Number | MFCD00006649 |
| SMILES | CCCCCC1CCCC(=O)O1 |
| Synonym | delta-decalactone,6-pentyltetrahydro-2h-pyran-2-one,5-decanolide,decanolide-1,5,5-decalactone,decan-5-olide,amyl-delta-valerolactone,delta-decanolactone,5-pentyl-5-pentanolide,2h-pyran-2-one, tetrahydro-6-pentyl |
| IUPAC Name | 6-pentyloxan-2-one |
| InChI Key | GHBSPIPJMLAMEP-UHFFFAOYNA-N |
| Molecular Formula | C10H18O2 |