Organoheterocyclic compounds
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1-Allylpiperazine, 98+%
CAS: 13961-36-9 Molecular Formula: C7H14N2 Molecular Weight (g/mol): 126.203 MDL Number: MFCD00167970 InChI Key: ZWAQJGHGPPDZSF-UHFFFAOYSA-N Synonym: 1-allylpiperazine,1-allyl-piperazine,1-allyl piperazine,1-prop-2-en-1-yl piperazine,n-allyl piperazine,piperazine,1-2-propen-1-yl,prop-2-enylpiperazine,allylpiperazin,allylpiperazine,1-allylpiperazin PubChem CID: 806422 IUPAC Name: 1-prop-2-enylpiperazine SMILES: C=CCN1CCNCC1
| PubChem CID | 806422 |
|---|---|
| CAS | 13961-36-9 |
| Molecular Weight (g/mol) | 126.203 |
| MDL Number | MFCD00167970 |
| SMILES | C=CCN1CCNCC1 |
| Synonym | 1-allylpiperazine,1-allyl-piperazine,1-allyl piperazine,1-prop-2-en-1-yl piperazine,n-allyl piperazine,piperazine,1-2-propen-1-yl,prop-2-enylpiperazine,allylpiperazin,allylpiperazine,1-allylpiperazin |
| IUPAC Name | 1-prop-2-enylpiperazine |
| InChI Key | ZWAQJGHGPPDZSF-UHFFFAOYSA-N |
| Molecular Formula | C7H14N2 |
Benzothiazole-2-carbonyl chloride, 95%
CAS: 67748-61-2 Molecular Formula: C8H4ClNOS Molecular Weight (g/mol): 197.636 MDL Number: MFCD03659697 InChI Key: AOIGQLLPWDXVGB-UHFFFAOYSA-N Synonym: benzothiazole-2-carbonyl chloride,2-benzothiazolecarbonyl chloride,benzo d thiazole-2-carbonyl chloride,acmc-1b36m,2-benzothiazolecarbonylchloride,benzothiazol-2-carbonyl chloride,benzothiazole-2-carbonyl chloride .,2-benzothiazolecarbonyl chloride 9ci,benzothiazole-2-carboxylic acid chloride PubChem CID: 2776254 IUPAC Name: 1,3-benzothiazole-2-carbonyl chloride SMILES: C1=CC=C2C(=C1)N=C(S2)C(=O)Cl
| PubChem CID | 2776254 |
|---|---|
| CAS | 67748-61-2 |
| Molecular Weight (g/mol) | 197.636 |
| MDL Number | MFCD03659697 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)C(=O)Cl |
| Synonym | benzothiazole-2-carbonyl chloride,2-benzothiazolecarbonyl chloride,benzo d thiazole-2-carbonyl chloride,acmc-1b36m,2-benzothiazolecarbonylchloride,benzothiazol-2-carbonyl chloride,benzothiazole-2-carbonyl chloride .,2-benzothiazolecarbonyl chloride 9ci,benzothiazole-2-carboxylic acid chloride |
| IUPAC Name | 1,3-benzothiazole-2-carbonyl chloride |
| InChI Key | AOIGQLLPWDXVGB-UHFFFAOYSA-N |
| Molecular Formula | C8H4ClNOS |
Furan-3-boronic acid, 97%
CAS: 55552-70-0 Molecular Formula: C4H5BO3 Molecular Weight (g/mol): 111.89 MDL Number: MFCD01319007 InChI Key: CYEFKCRAAGLNHW-UHFFFAOYSA-N Synonym: furan-3-boronic acid,3-furanboronic acid,3-furylboronic acid,furan-3-yl boronic acid,3-furanylboronic acid,furan-3-ylboranediol,3-furan boronic acid,furan-3-yl-3-boronic acid,furan-3-yl-boronic acid,boronic acid, 3-furanyl PubChem CID: 2734358 IUPAC Name: (furan-3-yl)boronic acid SMILES: OB(O)C1=COC=C1
| PubChem CID | 2734358 |
|---|---|
| CAS | 55552-70-0 |
| Molecular Weight (g/mol) | 111.89 |
| MDL Number | MFCD01319007 |
| SMILES | OB(O)C1=COC=C1 |
| Synonym | furan-3-boronic acid,3-furanboronic acid,3-furylboronic acid,furan-3-yl boronic acid,3-furanylboronic acid,furan-3-ylboranediol,3-furan boronic acid,furan-3-yl-3-boronic acid,furan-3-yl-boronic acid,boronic acid, 3-furanyl |
| IUPAC Name | (furan-3-yl)boronic acid |
| InChI Key | CYEFKCRAAGLNHW-UHFFFAOYSA-N |
| Molecular Formula | C4H5BO3 |
5-Acetylthiophene-2-carboxylic acid, 98+%
CAS: 4066-41-5 Molecular Formula: C7H6O3S Molecular Weight (g/mol): 170.182 MDL Number: MFCD00055512 InChI Key: LIKIMWYKJUFVJP-UHFFFAOYSA-N Synonym: 5-acetyl-2-thiophenecarboxylic acid,5-acetyltiophene-2-carboxylic acid,2-thiophenecarboxylic acid, 5-acetyl,5-acetyl-2-thenoic acid,acmc-1ae0g,5-carboxy-2-acetylthiophene,5-acetylthiophene-2-carboxylicacid,5-acetyl-thiophen-2-carboxylic acid,5-acetyl thiophene-2-carboxylic acid,5-acetyl-2-thiophene-carboxylic acid PubChem CID: 3742727 IUPAC Name: 5-acetylthiophene-2-carboxylic acid SMILES: CC(=O)C1=CC=C(S1)C(=O)O
| PubChem CID | 3742727 |
|---|---|
| CAS | 4066-41-5 |
| Molecular Weight (g/mol) | 170.182 |
| MDL Number | MFCD00055512 |
| SMILES | CC(=O)C1=CC=C(S1)C(=O)O |
| Synonym | 5-acetyl-2-thiophenecarboxylic acid,5-acetyltiophene-2-carboxylic acid,2-thiophenecarboxylic acid, 5-acetyl,5-acetyl-2-thenoic acid,acmc-1ae0g,5-carboxy-2-acetylthiophene,5-acetylthiophene-2-carboxylicacid,5-acetyl-thiophen-2-carboxylic acid,5-acetyl thiophene-2-carboxylic acid,5-acetyl-2-thiophene-carboxylic acid |
| IUPAC Name | 5-acetylthiophene-2-carboxylic acid |
| InChI Key | LIKIMWYKJUFVJP-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3S |
4'-Chloro-2,2':6',2″-terpyridine, 98%
CAS: 128143-89-5 Molecular Formula: C15H10ClN3 Molecular Weight (g/mol): 267.72 MDL Number: MFCD00191930 InChI Key: AHEMFMCEBIJRMU-UHFFFAOYSA-N Synonym: 4'-chloro-2,2':6',2-terpyridine,4'-chloro-2,2':6',2'-terpyridine,4'-chloro-2,2',6',2-terpyridine,4-chloro-2,6-bis pyridin-2-yl pyridine,4-chloro-2,6-di 2-pyridyl pyridine,4-chloro-6-pyridin-2-yl-2,2'-bipyridine,zlchem 975,acmc-1cg8d,4'-chloro-2,2'6'2-terpyridine,4-chloro-2,6-bis 2-pyridyl pyridine PubChem CID: 667748 SMILES: ClC1=CC(=NC(=C1)C1=CC=CC=N1)C1=CC=CC=N1
| PubChem CID | 667748 |
|---|---|
| CAS | 128143-89-5 |
| Molecular Weight (g/mol) | 267.72 |
| MDL Number | MFCD00191930 |
| SMILES | ClC1=CC(=NC(=C1)C1=CC=CC=N1)C1=CC=CC=N1 |
| Synonym | 4'-chloro-2,2':6',2-terpyridine,4'-chloro-2,2':6',2'-terpyridine,4'-chloro-2,2',6',2-terpyridine,4-chloro-2,6-bis pyridin-2-yl pyridine,4-chloro-2,6-di 2-pyridyl pyridine,4-chloro-6-pyridin-2-yl-2,2'-bipyridine,zlchem 975,acmc-1cg8d,4'-chloro-2,2'6'2-terpyridine,4-chloro-2,6-bis 2-pyridyl pyridine |
| InChI Key | AHEMFMCEBIJRMU-UHFFFAOYSA-N |
| Molecular Formula | C15H10ClN3 |
3-Chloro-2-hydroxypyridine, 97%
CAS: 13466-35-8 Molecular Formula: C5H4ClNO Molecular Weight (g/mol): 129.54 MDL Number: MFCD01646109 InChI Key: XTYNIPUFKBBALX-UHFFFAOYSA-N Synonym: 3-chloro-2-hydroxypyridine,3-chloropyridin-2-ol,3-chloro-2-pyridinol,2-hydroxy-3-chloropyridine,3-chloropyridin-2 1h-one,3-chloro-2 1h-pyridinone,chloropyridone,2 1h-pyridinone, 3-chloro,chloropyridinol,pubchem6538 PubChem CID: 582210 IUPAC Name: 3-chloro-1H-pyridin-2-one SMILES: ClC1=CC=CNC1=O
| PubChem CID | 582210 |
|---|---|
| CAS | 13466-35-8 |
| Molecular Weight (g/mol) | 129.54 |
| MDL Number | MFCD01646109 |
| SMILES | ClC1=CC=CNC1=O |
| Synonym | 3-chloro-2-hydroxypyridine,3-chloropyridin-2-ol,3-chloro-2-pyridinol,2-hydroxy-3-chloropyridine,3-chloropyridin-2 1h-one,3-chloro-2 1h-pyridinone,chloropyridone,2 1h-pyridinone, 3-chloro,chloropyridinol,pubchem6538 |
| IUPAC Name | 3-chloro-1H-pyridin-2-one |
| InChI Key | XTYNIPUFKBBALX-UHFFFAOYSA-N |
| Molecular Formula | C5H4ClNO |
5-Fluorocytosine, 98+%
CAS: 2022-85-7 Molecular Formula: C4H4FN3O Molecular Weight (g/mol): 129.09 MDL Number: MFCD00006035,MFCD00179326,MFCD03547958 InChI Key: XRECTZIEBJDKEO-UHFFFAOYSA-N Synonym: 5-fluorocytosine,flucytosine,ancotil,ancobon,flucytosin,5-fluorocystosine,fluocytosine,5-fc,5-fluorocytosin,fluorcytosine PubChem CID: 3366 ChEBI: CHEBI:5100 SMILES: NC1=C(F)C=NC(=O)N1
| PubChem CID | 3366 |
|---|---|
| CAS | 2022-85-7 |
| Molecular Weight (g/mol) | 129.09 |
| ChEBI | CHEBI:5100 |
| MDL Number | MFCD00006035,MFCD00179326,MFCD03547958 |
| SMILES | NC1=C(F)C=NC(=O)N1 |
| Synonym | 5-fluorocytosine,flucytosine,ancotil,ancobon,flucytosin,5-fluorocystosine,fluocytosine,5-fc,5-fluorocytosin,fluorcytosine |
| InChI Key | XRECTZIEBJDKEO-UHFFFAOYSA-N |
| Molecular Formula | C4H4FN3O |
2,4,6-Trifluoropyridine, 97%
CAS: 3512-17-2 Molecular Formula: C5H2F3N Molecular Weight (g/mol): 133.073 MDL Number: MFCD03001161 InChI Key: UZDRWXKBKVVUTE-UHFFFAOYSA-N Synonym: 2,4,6-trifluoro-pyridine,pyridine, 2,4,6-trifluoro,pubchem7794,2,4,6 trifluoropyridine,acmc-1cp7f,2,4,6-tris fluoranyl pyridine PubChem CID: 2783289 IUPAC Name: 2,4,6-trifluoropyridine SMILES: C1=C(C=C(N=C1F)F)F
| PubChem CID | 2783289 |
|---|---|
| CAS | 3512-17-2 |
| Molecular Weight (g/mol) | 133.073 |
| MDL Number | MFCD03001161 |
| SMILES | C1=C(C=C(N=C1F)F)F |
| Synonym | 2,4,6-trifluoro-pyridine,pyridine, 2,4,6-trifluoro,pubchem7794,2,4,6 trifluoropyridine,acmc-1cp7f,2,4,6-tris fluoranyl pyridine |
| IUPAC Name | 2,4,6-trifluoropyridine |
| InChI Key | UZDRWXKBKVVUTE-UHFFFAOYSA-N |
| Molecular Formula | C5H2F3N |
4-(Methylamino)pyridine, 99%
CAS: 1121-58-0 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00152625 InChI Key: LSCYTCMNCWMCQE-UHFFFAOYSA-N Synonym: 4-methylamino pyridine,4-methylaminopyridine,n-methyl-4-pyridinamine,4-pyridinamine, n-methyl,pyridin-4-yl methyl amine,4-mamp,dmap on polystyrene,pubchem12915,pyridin-4yl-methylamine,pyridin-4-yl-methylamine PubChem CID: 123098 IUPAC Name: N-methylpyridin-4-amine SMILES: CNC1=CC=NC=C1
| PubChem CID | 123098 |
|---|---|
| CAS | 1121-58-0 |
| Molecular Weight (g/mol) | 108.14 |
| MDL Number | MFCD00152625 |
| SMILES | CNC1=CC=NC=C1 |
| Synonym | 4-methylamino pyridine,4-methylaminopyridine,n-methyl-4-pyridinamine,4-pyridinamine, n-methyl,pyridin-4-yl methyl amine,4-mamp,dmap on polystyrene,pubchem12915,pyridin-4yl-methylamine,pyridin-4-yl-methylamine |
| IUPAC Name | N-methylpyridin-4-amine |
| InChI Key | LSCYTCMNCWMCQE-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |
3-Bromooxetane, 95%
CAS: 39267-79-3 Molecular Formula: C3H5BrO Molecular Weight (g/mol): 136.98 MDL Number: MFCD08544402 InChI Key: SZTIZZFKWQWSSP-UHFFFAOYSA-N Synonym: 3-bromo-oxetane,3-bromo oxetane,3-bromanyloxetane,3-bromooxetane,acmc-209j4f,2-bromo-1,3-epoxypropane,5-n,n-dimethylamino-2-hydroxybenzaldehyde PubChem CID: 16244493 IUPAC Name: 3-bromooxetane SMILES: BrC1COC1
| PubChem CID | 16244493 |
|---|---|
| CAS | 39267-79-3 |
| Molecular Weight (g/mol) | 136.98 |
| MDL Number | MFCD08544402 |
| SMILES | BrC1COC1 |
| Synonym | 3-bromo-oxetane,3-bromo oxetane,3-bromanyloxetane,3-bromooxetane,acmc-209j4f,2-bromo-1,3-epoxypropane,5-n,n-dimethylamino-2-hydroxybenzaldehyde |
| IUPAC Name | 3-bromooxetane |
| InChI Key | SZTIZZFKWQWSSP-UHFFFAOYSA-N |
| Molecular Formula | C3H5BrO |
Bis(ethylenedithio)tetrathiafulvalene
CAS: 66946-48-3 Molecular Formula: C10H8S8 Molecular Weight (g/mol): 384.65 MDL Number: MFCD00059710 InChI Key: LZJCVNLYDXCIBG-UHFFFAOYSA-N Synonym: bis ethylenedithio tetrathiafulvalene,bedt-ttf,2-5h,6h-1,3 dithiolo 4,5-b 1,4 dithiin-2-ylidene-5h,6h-1,3 dithiolo 4,5-b 1,4 dithiine,bis ethylenedithio tetrathiofulvalene,bis ethylenedithiolo tetrathiafulvalene,bis-ethylenedithio tetrathiafulvalene,bis ethylenedithiolo tetrathiafulvalene 250mg,bi 5,6-dihydro-1,3-dithiolo 4,5-b 1,4-dithiine-2-ylidene,2-5,6-dihydro-1,3 dithiolo 4,5-b 1,4 dithiin-2-ylidene-5,6-dihydro-1,3 dithiolo 4,5-b 1,4 dithiine PubChem CID: 633432 IUPAC Name: 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine SMILES: C1CSC2=C(SC(S2)=C2SC3=C(S2)SCCS3)S1
| PubChem CID | 633432 |
|---|---|
| CAS | 66946-48-3 |
| Molecular Weight (g/mol) | 384.65 |
| MDL Number | MFCD00059710 |
| SMILES | C1CSC2=C(SC(S2)=C2SC3=C(S2)SCCS3)S1 |
| Synonym | bis ethylenedithio tetrathiafulvalene,bedt-ttf,2-5h,6h-1,3 dithiolo 4,5-b 1,4 dithiin-2-ylidene-5h,6h-1,3 dithiolo 4,5-b 1,4 dithiine,bis ethylenedithio tetrathiofulvalene,bis ethylenedithiolo tetrathiafulvalene,bis-ethylenedithio tetrathiafulvalene,bis ethylenedithiolo tetrathiafulvalene 250mg,bi 5,6-dihydro-1,3-dithiolo 4,5-b 1,4-dithiine-2-ylidene,2-5,6-dihydro-1,3 dithiolo 4,5-b 1,4 dithiin-2-ylidene-5,6-dihydro-1,3 dithiolo 4,5-b 1,4 dithiine |
| IUPAC Name | 2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine |
| InChI Key | LZJCVNLYDXCIBG-UHFFFAOYSA-N |
| Molecular Formula | C10H8S8 |
1-Methyl-1,2,4-triazole, 98%
CAS: 6086-21-1 Molecular Formula: C3H5N3 Molecular Weight (g/mol): 83.09 MDL Number: MFCD01076192 InChI Key: MWZDIEIXRBWPLG-UHFFFAOYSA-N Synonym: 1-methyl-1h-1,2,4-triazole,1h-1,2,4-triazole, 1-methyl,1-methyl,-1,2,4-triazole,1-methyl-1h-1,2,4 triazole,pubchem22534,acmc-1avow,ksc495k1j PubChem CID: 22459 SMILES: CN1C=NC=N1
| PubChem CID | 22459 |
|---|---|
| CAS | 6086-21-1 |
| Molecular Weight (g/mol) | 83.09 |
| MDL Number | MFCD01076192 |
| SMILES | CN1C=NC=N1 |
| Synonym | 1-methyl-1h-1,2,4-triazole,1h-1,2,4-triazole, 1-methyl,1-methyl,-1,2,4-triazole,1-methyl-1h-1,2,4 triazole,pubchem22534,acmc-1avow,ksc495k1j |
| InChI Key | MWZDIEIXRBWPLG-UHFFFAOYSA-N |
| Molecular Formula | C3H5N3 |
2-Amino-5-cyanopyridine, 98%
CAS: 4214-73-7 Molecular Formula: C6H6N3 Molecular Weight (g/mol): 120.13 MDL Number: MFCD00128902 InChI Key: KDVBYUUGYXUXNL-UHFFFAOYSA-O Synonym: 2-amino-5-cyanopyridine,6-aminonicotinonitrile,6-amino-3-pyridinecarbonitrile,6-amino-nicotinonitrile,3-pyridinecarbonitrile, 6-amino,2-amino-5-cyano pyridine,6-aminonicotinonitril,zlchem 518,pubchem5752,acmc-209jnu PubChem CID: 818260 SMILES: NC1=CC=C(C=[NH+]1)C#N
| PubChem CID | 818260 |
|---|---|
| CAS | 4214-73-7 |
| Molecular Weight (g/mol) | 120.13 |
| MDL Number | MFCD00128902 |
| SMILES | NC1=CC=C(C=[NH+]1)C#N |
| Synonym | 2-amino-5-cyanopyridine,6-aminonicotinonitrile,6-amino-3-pyridinecarbonitrile,6-amino-nicotinonitrile,3-pyridinecarbonitrile, 6-amino,2-amino-5-cyano pyridine,6-aminonicotinonitril,zlchem 518,pubchem5752,acmc-209jnu |
| InChI Key | KDVBYUUGYXUXNL-UHFFFAOYSA-O |
| Molecular Formula | C6H6N3 |
Thermo Scientific Chemicals Sulfobromophthalein sodium salt hydrate
CAS: 71-67-0 Molecular Formula: C20H8Br4Na2O10S2 Molecular Weight (g/mol): 837.99 MDL Number: MFCD00150017 InChI Key: GHAFORRTMVIXHS-UHFFFAOYSA-L Synonym: bromosulfophthalein,sulfobromophthalein,3h bsp,3h-bsp,d00ady PubChem CID: 102371197 ChEBI: CHEBI:63827 IUPAC Name: disodium;2-sulfo-4-[4,5,6,7-tetrabromo-1-(4-oxido-3-sulfophenyl)-3-oxo-2-benzofuran-1-yl]phenolate SMILES: [Na+].[Na+].OC1=CC=C(C=C1S([O-])(=O)=O)C1(OC(=O)C2=C(Br)C(Br)=C(Br)C(Br)=C12)C1=CC=C(O)C(=C1)S([O-])(=O)=O
| PubChem CID | 102371197 |
|---|---|
| CAS | 71-67-0 |
| Molecular Weight (g/mol) | 837.99 |
| ChEBI | CHEBI:63827 |
| MDL Number | MFCD00150017 |
| SMILES | [Na+].[Na+].OC1=CC=C(C=C1S([O-])(=O)=O)C1(OC(=O)C2=C(Br)C(Br)=C(Br)C(Br)=C12)C1=CC=C(O)C(=C1)S([O-])(=O)=O |
| Synonym | bromosulfophthalein,sulfobromophthalein,3h bsp,3h-bsp,d00ady |
| IUPAC Name | disodium;2-sulfo-4-[4,5,6,7-tetrabromo-1-(4-oxido-3-sulfophenyl)-3-oxo-2-benzofuran-1-yl]phenolate |
| InChI Key | GHAFORRTMVIXHS-UHFFFAOYSA-L |
| Molecular Formula | C20H8Br4Na2O10S2 |