Organoheterocyclic compounds
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1,2-Epoxyoctane, 97%
CAS: 2984-50-1 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.22 MDL Number: MFCD00005157 InChI Key: NJWSNNWLBMSXQR-UHFFFAOYNA-N Synonym: 1,2-epoxyoctane,hexyloxirane,1-octene oxide,octylene epoxide,oxirane, hexyl,1-octene epoxide,octane 1,2-oxide,octene-1,2-oxide,1,2-epoxy-n-octane,n-octene-1,2-oxide PubChem CID: 18126 IUPAC Name: 2-hexyloxirane SMILES: CCCCCCC1CO1
| PubChem CID | 18126 |
|---|---|
| CAS | 2984-50-1 |
| Molecular Weight (g/mol) | 128.22 |
| MDL Number | MFCD00005157 |
| SMILES | CCCCCCC1CO1 |
| Synonym | 1,2-epoxyoctane,hexyloxirane,1-octene oxide,octylene epoxide,oxirane, hexyl,1-octene epoxide,octane 1,2-oxide,octene-1,2-oxide,1,2-epoxy-n-octane,n-octene-1,2-oxide |
| IUPAC Name | 2-hexyloxirane |
| InChI Key | NJWSNNWLBMSXQR-UHFFFAOYNA-N |
| Molecular Formula | C8H16O |
1-(4-Iodophenyl)pyrrole, 97%
CAS: 92636-36-7 Molecular Formula: C10H8IN Molecular Weight (g/mol): 269.085 MDL Number: MFCD00052399 InChI Key: FMURNAZHVQDQQN-UHFFFAOYSA-N Synonym: 1-4-iodophenyl pyrrole,1-4-iodophenyl-1h-pyrrole,acmc-20apaj,4-iodophenyl pyrrole,maybridge1_002926,1-4-iodo-phenyl-1h-pyrrole,1h-pyrrole,1-4-iodophenyl,1-4-iodophenyl-1h-pyrrole # PubChem CID: 272430 IUPAC Name: 1-(4-iodophenyl)pyrrole SMILES: C1=CN(C=C1)C2=CC=C(C=C2)I
| PubChem CID | 272430 |
|---|---|
| CAS | 92636-36-7 |
| Molecular Weight (g/mol) | 269.085 |
| MDL Number | MFCD00052399 |
| SMILES | C1=CN(C=C1)C2=CC=C(C=C2)I |
| Synonym | 1-4-iodophenyl pyrrole,1-4-iodophenyl-1h-pyrrole,acmc-20apaj,4-iodophenyl pyrrole,maybridge1_002926,1-4-iodo-phenyl-1h-pyrrole,1h-pyrrole,1-4-iodophenyl,1-4-iodophenyl-1h-pyrrole # |
| IUPAC Name | 1-(4-iodophenyl)pyrrole |
| InChI Key | FMURNAZHVQDQQN-UHFFFAOYSA-N |
| Molecular Formula | C10H8IN |
5-Chloro-2-thiophenecarboxaldehyde, 97%
CAS: 7283-96-7 Molecular Formula: C5H3ClOS Molecular Weight (g/mol): 146.59 MDL Number: MFCD00047090 InChI Key: VWYFITBWBRVBSW-UHFFFAOYSA-N Synonym: 5-chloro-2-thiophenecarboxaldehyde,2-chloro-5-thiophenecarboxaldehyde,5-chlorothiophene-2-carboxaldehyde,2-thiophenecarboxaldehyde, 5-chloro,5-chloro-2-formylthiophene,2-chloro-5-formylthiophene,5-chlorothiophene-2-aldehyde,5-chloro-2-thiophenecarbaldehyde,5-chloro-2-thiophene-carboxaldehyde,pubchem7742 PubChem CID: 81700 IUPAC Name: 5-chlorothiophene-2-carbaldehyde SMILES: ClC1=CC=C(S1)C=O
| PubChem CID | 81700 |
|---|---|
| CAS | 7283-96-7 |
| Molecular Weight (g/mol) | 146.59 |
| MDL Number | MFCD00047090 |
| SMILES | ClC1=CC=C(S1)C=O |
| Synonym | 5-chloro-2-thiophenecarboxaldehyde,2-chloro-5-thiophenecarboxaldehyde,5-chlorothiophene-2-carboxaldehyde,2-thiophenecarboxaldehyde, 5-chloro,5-chloro-2-formylthiophene,2-chloro-5-formylthiophene,5-chlorothiophene-2-aldehyde,5-chloro-2-thiophenecarbaldehyde,5-chloro-2-thiophene-carboxaldehyde,pubchem7742 |
| IUPAC Name | 5-chlorothiophene-2-carbaldehyde |
| InChI Key | VWYFITBWBRVBSW-UHFFFAOYSA-N |
| Molecular Formula | C5H3ClOS |
2-Amino-5-bromopyrazine, 97%
CAS: 59489-71-3 Molecular Formula: C4H4BrN3 Molecular Weight (g/mol): 174.001 MDL Number: MFCD00235015 InChI Key: KRRTXVSBTPCDOS-UHFFFAOYSA-N Synonym: 2-amino-5-bromopyrazine,5-bromo-2-pyrazinamine,5-bromo-pyrazin-2-ylamine,2-bromo-5-aminopyrazine,pyrazinamine, 5-bromo,5-amino-2-bromopyrazine,5-bromo-2-aminopyrazine,5-bromopyrazin-2-ylamine,5-bromopyrazinamine,2-amino-5-bromo-pyrazine PubChem CID: 599539 IUPAC Name: 5-bromopyrazin-2-amine SMILES: C1=C(N=CC(=N1)Br)N
| PubChem CID | 599539 |
|---|---|
| CAS | 59489-71-3 |
| Molecular Weight (g/mol) | 174.001 |
| MDL Number | MFCD00235015 |
| SMILES | C1=C(N=CC(=N1)Br)N |
| Synonym | 2-amino-5-bromopyrazine,5-bromo-2-pyrazinamine,5-bromo-pyrazin-2-ylamine,2-bromo-5-aminopyrazine,pyrazinamine, 5-bromo,5-amino-2-bromopyrazine,5-bromo-2-aminopyrazine,5-bromopyrazin-2-ylamine,5-bromopyrazinamine,2-amino-5-bromo-pyrazine |
| IUPAC Name | 5-bromopyrazin-2-amine |
| InChI Key | KRRTXVSBTPCDOS-UHFFFAOYSA-N |
| Molecular Formula | C4H4BrN3 |
4-Acetyl-4-phenylpiperidine hydrochloride, 99%, Thermo Scientific Chemicals
CAS: 10315-03-4 Molecular Formula: C13H17NO·ClH Molecular Weight (g/mol): 239.74 MDL Number: MFCD00039037 InChI Key: JYDHZOIDIWUHDB-UHFFFAOYSA-N Synonym: 4-acetyl-4-phenylpiperidine hydrochloride,1-4-phenylpiperidin-4-yl ethanone hydrochloride,1-4-phenylpiperidin-4-yl ethan-1-one hydrochloride,4-acetyl-4-phenylpiperidine, chloride,1-4-phenylpiperidin-4-yl ethan-1-one hcl,acmc-1c3wz,4-acetyl-4-phenylpiperidine hcl,4-acetyl 4-phenyl piperidine hydrochloride,4-acetyl-4-phenyl-piperidine hydrochloride PubChem CID: 2723767 IUPAC Name: 1-(4-phenylpiperidin-4-yl)ethanone;hydrochloride SMILES: CC(=O)C1(CCNCC1)C2=CC=CC=C2.Cl
| PubChem CID | 2723767 |
|---|---|
| CAS | 10315-03-4 |
| Molecular Weight (g/mol) | 239.74 |
| MDL Number | MFCD00039037 |
| SMILES | CC(=O)C1(CCNCC1)C2=CC=CC=C2.Cl |
| Synonym | 4-acetyl-4-phenylpiperidine hydrochloride,1-4-phenylpiperidin-4-yl ethanone hydrochloride,1-4-phenylpiperidin-4-yl ethan-1-one hydrochloride,4-acetyl-4-phenylpiperidine, chloride,1-4-phenylpiperidin-4-yl ethan-1-one hcl,acmc-1c3wz,4-acetyl-4-phenylpiperidine hcl,4-acetyl 4-phenyl piperidine hydrochloride,4-acetyl-4-phenyl-piperidine hydrochloride |
| IUPAC Name | 1-(4-phenylpiperidin-4-yl)ethanone;hydrochloride |
| InChI Key | JYDHZOIDIWUHDB-UHFFFAOYSA-N |
| Molecular Formula | C13H17NO·ClH |
1-Methylindazole-6-boronic acid, 97%
CAS: 1150114-80-9 Molecular Formula: C8H9BN2O2 Molecular Weight (g/mol): 175.98 MDL Number: MFCD09870053 InChI Key: OMVQAWCHQBKZCF-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazol-6-yl boronic acid,1-methyl-1h-indazole-6-boronic acid,1-methylindazole-6-boronic acid,1-methyl-1h-indazol-6-boronic acid,1-methyl-1h-indazol-6-ylboronic acid,6-borono-1-methyl-1h-indazole,1-methyl-1h-indazol-6-yl-6-boronic acid,pubchem20896,acmc-2099ne,1-methyl-indazole-6-boronic acid PubChem CID: 44118215 IUPAC Name: (1-methylindazol-6-yl)boronic acid SMILES: CN1N=CC2=CC=C(C=C12)B(O)O
| PubChem CID | 44118215 |
|---|---|
| CAS | 1150114-80-9 |
| Molecular Weight (g/mol) | 175.98 |
| MDL Number | MFCD09870053 |
| SMILES | CN1N=CC2=CC=C(C=C12)B(O)O |
| Synonym | 1-methyl-1h-indazol-6-yl boronic acid,1-methyl-1h-indazole-6-boronic acid,1-methylindazole-6-boronic acid,1-methyl-1h-indazol-6-boronic acid,1-methyl-1h-indazol-6-ylboronic acid,6-borono-1-methyl-1h-indazole,1-methyl-1h-indazol-6-yl-6-boronic acid,pubchem20896,acmc-2099ne,1-methyl-indazole-6-boronic acid |
| IUPAC Name | (1-methylindazol-6-yl)boronic acid |
| InChI Key | OMVQAWCHQBKZCF-UHFFFAOYSA-N |
| Molecular Formula | C8H9BN2O2 |
2,6-Difluoropyridine-3-boronic acid, 95%, Thermo Scientific™
CAS: 136466-94-9 Molecular Formula: C5H4BF2NO2 Molecular Weight (g/mol): 158.899 MDL Number: MFCD03788245 InChI Key: LCCZTROJRJFXNV-UHFFFAOYSA-N Synonym: 2,6-difluoropyridine-3-boronic acid,2,6-difluoropyridin-3-yl boronic acid,2,6-difluoro-3-pyridineboronic acid,2,6-difluoropyridin-3-yl-3-boronic acid,2,6-difluoropyridine-3-boronicacid,2,6-difluoropyridin-3-ylboronicacid,2,6-difluoro-3-pyridyl boronic acid,2,6-difluoro-3-pyridylboronic acid,boronic acid, 2,6-difluoro-3-pyridinyl,2,6-difluoro-3-pyridinyl boronic acid PubChem CID: 2762713 IUPAC Name: (2,6-difluoropyridin-3-yl)boronic acid SMILES: B(C1=C(N=C(C=C1)F)F)(O)O
| PubChem CID | 2762713 |
|---|---|
| CAS | 136466-94-9 |
| Molecular Weight (g/mol) | 158.899 |
| MDL Number | MFCD03788245 |
| SMILES | B(C1=C(N=C(C=C1)F)F)(O)O |
| Synonym | 2,6-difluoropyridine-3-boronic acid,2,6-difluoropyridin-3-yl boronic acid,2,6-difluoro-3-pyridineboronic acid,2,6-difluoropyridin-3-yl-3-boronic acid,2,6-difluoropyridine-3-boronicacid,2,6-difluoropyridin-3-ylboronicacid,2,6-difluoro-3-pyridyl boronic acid,2,6-difluoro-3-pyridylboronic acid,boronic acid, 2,6-difluoro-3-pyridinyl,2,6-difluoro-3-pyridinyl boronic acid |
| IUPAC Name | (2,6-difluoropyridin-3-yl)boronic acid |
| InChI Key | LCCZTROJRJFXNV-UHFFFAOYSA-N |
| Molecular Formula | C5H4BF2NO2 |
Xanthine, 98%
CAS: 69-89-6 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.11 MDL Number: MFCD00078453 InChI Key: LRFVTYWOQMYALW-UHFFFAOYSA-N Synonym: xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol PubChem CID: 1188 ChEBI: CHEBI:17712 IUPAC Name: 3,7-dihydropurine-2,6-dione SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2
| PubChem CID | 1188 |
|---|---|
| CAS | 69-89-6 |
| Molecular Weight (g/mol) | 152.11 |
| ChEBI | CHEBI:17712 |
| MDL Number | MFCD00078453 |
| SMILES | C1=NC2=C(N1)C(=O)NC(=O)N2 |
| Synonym | xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol |
| IUPAC Name | 3,7-dihydropurine-2,6-dione |
| InChI Key | LRFVTYWOQMYALW-UHFFFAOYSA-N |
| Molecular Formula | C5H4N4O2 |
2,4-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole, 97%, Thermo Scientific™
CAS: 859833-13-9 Molecular Formula: C11H18BNO2S Molecular Weight (g/mol): 239.14 MDL Number: MFCD07783649 InChI Key: AZYDPQHPHNHZPL-UHFFFAOYSA-N Synonym: 2,4-dimethyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1,3-thiazole,2,4-dimethylthiazole-5-boronic acid, pinacol ester,2,4-dimethyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl thiazole,2,4-dimethyl-5-tetramethyl-1,3,2-dioxaborolan-2-yl-1,3-thiazole,2,4-dimethyl thiazole-5-boronic acid pinacol ester,2,4-dimethyl-thiazole-5-boronic acid pinacol ester,2,4-dimethyl-1,3-thiazol-5-ylboronic acid pinacol ester,2,4-dimethyl-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-thiazole,2,4-dimethyl-5-4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl-1,3-thiazole,2,4-dimethyl-5-4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl 1,3-thiazole PubChem CID: 18525700 IUPAC Name: 2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole SMILES: CC1=NC(C)=C(S1)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 18525700 |
|---|---|
| CAS | 859833-13-9 |
| Molecular Weight (g/mol) | 239.14 |
| MDL Number | MFCD07783649 |
| SMILES | CC1=NC(C)=C(S1)B1OC(C)(C)C(C)(C)O1 |
| Synonym | 2,4-dimethyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1,3-thiazole,2,4-dimethylthiazole-5-boronic acid, pinacol ester,2,4-dimethyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl thiazole,2,4-dimethyl-5-tetramethyl-1,3,2-dioxaborolan-2-yl-1,3-thiazole,2,4-dimethyl thiazole-5-boronic acid pinacol ester,2,4-dimethyl-thiazole-5-boronic acid pinacol ester,2,4-dimethyl-1,3-thiazol-5-ylboronic acid pinacol ester,2,4-dimethyl-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-thiazole,2,4-dimethyl-5-4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl-1,3-thiazole,2,4-dimethyl-5-4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl 1,3-thiazole |
| IUPAC Name | 2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole |
| InChI Key | AZYDPQHPHNHZPL-UHFFFAOYSA-N |
| Molecular Formula | C11H18BNO2S |
Bathophenanthrolinedisulfonic Acid Disodium Salt Hydrate, Sigma-Aldrich
CAS: 52746-49-3 Molecular Weight (g/mol): 536.49 g/mol
| CAS | 52746-49-3 |
|---|---|
| Molecular Weight (g/mol) | 536.49 g/mol |
N-(Benzoyloxy)succinimide, 97%
CAS: 23405-15-4 Molecular Formula: C11H9NO4 Molecular Weight (g/mol): 219.196 MDL Number: MFCD00078953 InChI Key: BVUOEDOMUOJKOY-UHFFFAOYSA-N Synonym: n-benzoyloxy succinimide,bz-osu,n-succinimidyl benzoate,benzoic acid n-hydroxysuccinimide ester,2,5-pyrrolidinedione, 1-benzoyloxy,1-benzoyloxy-2,5-pyrrolidinedione,2,5-dioxoazolidinyl benzoate,1-phenylcarbonyl oxy pyrrolidine-2,5-dione,benzoyoxysuccinimide,benzoic acid succinimidyl ester PubChem CID: 716426 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) benzoate SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC=CC=C2
| PubChem CID | 716426 |
|---|---|
| CAS | 23405-15-4 |
| Molecular Weight (g/mol) | 219.196 |
| MDL Number | MFCD00078953 |
| SMILES | C1CC(=O)N(C1=O)OC(=O)C2=CC=CC=C2 |
| Synonym | n-benzoyloxy succinimide,bz-osu,n-succinimidyl benzoate,benzoic acid n-hydroxysuccinimide ester,2,5-pyrrolidinedione, 1-benzoyloxy,1-benzoyloxy-2,5-pyrrolidinedione,2,5-dioxoazolidinyl benzoate,1-phenylcarbonyl oxy pyrrolidine-2,5-dione,benzoyoxysuccinimide,benzoic acid succinimidyl ester |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) benzoate |
| InChI Key | BVUOEDOMUOJKOY-UHFFFAOYSA-N |
| Molecular Formula | C11H9NO4 |
| CAS | 101-75-7 |
|---|---|
| Molecular Weight (g/mol) | 273.33 g/mol |
5-Cyanothiophene-2-carboxaldehyde, 95%
CAS: 21512-16-3 Molecular Formula: C6H3NOS Molecular Weight (g/mol): 137.156 MDL Number: MFCD09037804 InChI Key: PZIFYWVUYHMYOA-UHFFFAOYSA-N Synonym: 5-cyano-2-thiophene carbaldehyde,5-cyano-2-thiophenecarboxaldehyde,5-cyanothiophene-2-carboxaldehyde,2-thiophenecarbonitrile, 5-formyl,5-cyano-2-thiophenecarbaldehyde,2-formyl-5-cyanothiophen,2-cyano-5-formylthiophene,2-formyl-5-cyanothiophene,2-cyano-5-formyl-thiophene,5-cyanothiophene-2-aldehyde PubChem CID: 12280004 IUPAC Name: 5-formylthiophene-2-carbonitrile SMILES: C1=C(SC(=C1)C#N)C=O
| PubChem CID | 12280004 |
|---|---|
| CAS | 21512-16-3 |
| Molecular Weight (g/mol) | 137.156 |
| MDL Number | MFCD09037804 |
| SMILES | C1=C(SC(=C1)C#N)C=O |
| Synonym | 5-cyano-2-thiophene carbaldehyde,5-cyano-2-thiophenecarboxaldehyde,5-cyanothiophene-2-carboxaldehyde,2-thiophenecarbonitrile, 5-formyl,5-cyano-2-thiophenecarbaldehyde,2-formyl-5-cyanothiophen,2-cyano-5-formylthiophene,2-formyl-5-cyanothiophene,2-cyano-5-formyl-thiophene,5-cyanothiophene-2-aldehyde |
| IUPAC Name | 5-formylthiophene-2-carbonitrile |
| InChI Key | PZIFYWVUYHMYOA-UHFFFAOYSA-N |
| Molecular Formula | C6H3NOS |
6-Bromopyridine-2-carboxylic acid, 97%
CAS: 21190-87-4 Molecular Formula: C6H4BrNO2 Molecular Weight (g/mol): 202.007 MDL Number: MFCD00093197 InChI Key: XURXQNUIGWHWHU-UHFFFAOYSA-N Synonym: 6-bromopicolinic acid,6-bromo-2-pyridinecarboxylic acid,6-bromo-2-pyridine carboxylic acid,2-pyridinecarboxylic acid, 6-bromo,2-bromo pyridine-6-carboxylic acid,2-bromopyridine-6-carboxylic acid,2-bromo-6-pyridinecarboxylic acid,6-bromo-pyridine-2-carboxylic acid,6-bromopicolinicacid,pubchem2422 PubChem CID: 593919 IUPAC Name: 6-bromopyridine-2-carboxylic acid SMILES: C1=CC(=NC(=C1)Br)C(=O)O
| PubChem CID | 593919 |
|---|---|
| CAS | 21190-87-4 |
| Molecular Weight (g/mol) | 202.007 |
| MDL Number | MFCD00093197 |
| SMILES | C1=CC(=NC(=C1)Br)C(=O)O |
| Synonym | 6-bromopicolinic acid,6-bromo-2-pyridinecarboxylic acid,6-bromo-2-pyridine carboxylic acid,2-pyridinecarboxylic acid, 6-bromo,2-bromo pyridine-6-carboxylic acid,2-bromopyridine-6-carboxylic acid,2-bromo-6-pyridinecarboxylic acid,6-bromo-pyridine-2-carboxylic acid,6-bromopicolinicacid,pubchem2422 |
| IUPAC Name | 6-bromopyridine-2-carboxylic acid |
| InChI Key | XURXQNUIGWHWHU-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO2 |