Organoheterocyclic compounds
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2-Amino-3,5-dibromopyridine, 97%
CAS: 35486-42-1 Molecular Formula: C5H4Br2N2 Molecular Weight (g/mol): 251.909 MDL Number: MFCD00038041 InChI Key: WJMJWMSWJSACSN-UHFFFAOYSA-N Synonym: 2-amino-3,5-dibromopyridine,3,5-dibromo-2-pyridylamine,2-pyridinamine, 3,5-dibromo,3,5-dibromo-2-pyridinamine,3,5-dibromo-pyridin-2-ylamine,3,5-dibromo-2-pyridinylamine,2-amino-3,5-dibromo pyridine,3,5-dibrompyridin-2-amin,pubchem1130,maybridge1_001693 PubChem CID: 98851 IUPAC Name: 3,5-dibromopyridin-2-amine SMILES: C1=C(C=NC(=C1Br)N)Br
| PubChem CID | 98851 |
|---|---|
| CAS | 35486-42-1 |
| Molecular Weight (g/mol) | 251.909 |
| MDL Number | MFCD00038041 |
| SMILES | C1=C(C=NC(=C1Br)N)Br |
| Synonym | 2-amino-3,5-dibromopyridine,3,5-dibromo-2-pyridylamine,2-pyridinamine, 3,5-dibromo,3,5-dibromo-2-pyridinamine,3,5-dibromo-pyridin-2-ylamine,3,5-dibromo-2-pyridinylamine,2-amino-3,5-dibromo pyridine,3,5-dibrompyridin-2-amin,pubchem1130,maybridge1_001693 |
| IUPAC Name | 3,5-dibromopyridin-2-amine |
| InChI Key | WJMJWMSWJSACSN-UHFFFAOYSA-N |
| Molecular Formula | C5H4Br2N2 |
Tetrahydro-4H-pyran-4-one, 99%
CAS: 29943-42-8 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 InChI Key: JMJRYTGVHCAYCT-UHFFFAOYSA-N Synonym: tetrahydro-4h-pyran-4-one,4-oxotetrahydropyran,tetrahydropyran-4-one,dihydro-2h-pyran-4 3h-one,4h-pyran-4-one, tetrahydro,4-thp,tetrahydro-2h-pyran-4-one,tetrahydro-pyran-4-one,4-oxotetrahydopyran,tetrahydro-.gamma.-pyrone PubChem CID: 121599 IUPAC Name: oxan-4-one SMILES: C1COCCC1=O
| PubChem CID | 121599 |
|---|---|
| CAS | 29943-42-8 |
| Molecular Weight (g/mol) | 100.12 |
| SMILES | C1COCCC1=O |
| Synonym | tetrahydro-4h-pyran-4-one,4-oxotetrahydropyran,tetrahydropyran-4-one,dihydro-2h-pyran-4 3h-one,4h-pyran-4-one, tetrahydro,4-thp,tetrahydro-2h-pyran-4-one,tetrahydro-pyran-4-one,4-oxotetrahydopyran,tetrahydro-.gamma.-pyrone |
| IUPAC Name | oxan-4-one |
| InChI Key | JMJRYTGVHCAYCT-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
2-Chloro-3,5-dinitropyridine, 98+%, Thermo Scientific™
CAS: 2578-45-2 Molecular Formula: C5H2ClN3O4 Molecular Weight (g/mol): 203.54 MDL Number: MFCD00006233 InChI Key: QLHVJBXAQWPEDI-UHFFFAOYSA-N Synonym: pyridine, 2-chloro-3,5-dinitro,2-chloro-3,5-dinitro-pyridine,pubchem6103,acmc-209gmh,2-chloro3,5-dinitropyridine,2-chloro-3,5-dinitropyridine PubChem CID: 75738 IUPAC Name: 2-chloro-3,5-dinitropyridine SMILES: C1=C(C=NC(=C1[N+](=O)[O-])Cl)[N+](=O)[O-]
| PubChem CID | 75738 |
|---|---|
| CAS | 2578-45-2 |
| Molecular Weight (g/mol) | 203.54 |
| MDL Number | MFCD00006233 |
| SMILES | C1=C(C=NC(=C1[N+](=O)[O-])Cl)[N+](=O)[O-] |
| Synonym | pyridine, 2-chloro-3,5-dinitro,2-chloro-3,5-dinitro-pyridine,pubchem6103,acmc-209gmh,2-chloro3,5-dinitropyridine,2-chloro-3,5-dinitropyridine |
| IUPAC Name | 2-chloro-3,5-dinitropyridine |
| InChI Key | QLHVJBXAQWPEDI-UHFFFAOYSA-N |
| Molecular Formula | C5H2ClN3O4 |
2-Methyl-3-(2-furyl)propenal, 97%
CAS: 874-66-8 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00063240 InChI Key: ZNBXZUKDRRRQJK-FNORWQNLSA-N Synonym: 2-methyl-3-2-furyl propenal,alpha-methylfurylacrolein,2-methyl-3-2-furyl acrolein,furfurylidene-2-propanal,furfurylidine-2-propanal,2-methyl-3-furylacrolein,alpha-methyl-2-furanacrolein,2-furfurylidenepropionaldehyde,3-2-furyl methacrylaldehyde,2-methyl-3 2-furyl acrolein PubChem CID: 6210220 IUPAC Name: (E)-3-(furan-2-yl)-2-methylprop-2-enal SMILES: CC(=CC1=CC=CO1)C=O
| PubChem CID | 6210220 |
|---|---|
| CAS | 874-66-8 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00063240 |
| SMILES | CC(=CC1=CC=CO1)C=O |
| Synonym | 2-methyl-3-2-furyl propenal,alpha-methylfurylacrolein,2-methyl-3-2-furyl acrolein,furfurylidene-2-propanal,furfurylidine-2-propanal,2-methyl-3-furylacrolein,alpha-methyl-2-furanacrolein,2-furfurylidenepropionaldehyde,3-2-furyl methacrylaldehyde,2-methyl-3 2-furyl acrolein |
| IUPAC Name | (E)-3-(furan-2-yl)-2-methylprop-2-enal |
| InChI Key | ZNBXZUKDRRRQJK-FNORWQNLSA-N |
| Molecular Formula | C8H8O2 |
Benzothiazole, 97%
CAS: 95-16-9 Molecular Formula: C7H5NS Molecular Weight (g/mol): 135.184 MDL Number: MFCD00005775 InChI Key: IOJUPLGTWVMSFF-UHFFFAOYSA-N Synonym: benzothiazole,benzo d thiazole,benzosulfonazole,1-thia-3-azaindene,vangard bt,benzothiazol,usaf ek-4812,benzthiazole,fema number 3256,unii-g5bw2593ep PubChem CID: 7222 ChEBI: CHEBI:45993 IUPAC Name: 1,3-benzothiazole SMILES: C1=CC=C2C(=C1)N=CS2
| PubChem CID | 7222 |
|---|---|
| CAS | 95-16-9 |
| Molecular Weight (g/mol) | 135.184 |
| ChEBI | CHEBI:45993 |
| MDL Number | MFCD00005775 |
| SMILES | C1=CC=C2C(=C1)N=CS2 |
| Synonym | benzothiazole,benzo d thiazole,benzosulfonazole,1-thia-3-azaindene,vangard bt,benzothiazol,usaf ek-4812,benzthiazole,fema number 3256,unii-g5bw2593ep |
| IUPAC Name | 1,3-benzothiazole |
| InChI Key | IOJUPLGTWVMSFF-UHFFFAOYSA-N |
| Molecular Formula | C7H5NS |
3-Amino-6-chloropyridazine, 98%
CAS: 5469-69-2 Molecular Formula: C4H4ClN3 Molecular Weight (g/mol): 129.55 MDL Number: MFCD00051506 InChI Key: DTXVKPOKPFWSFF-UHFFFAOYSA-N Synonym: 3-amino-6-chloropyridazine,3-pyridazinamine, 6-chloro,6-chloro-3-pyridazinamine,6-amino-3-chloropyridazine,6-chloro-3-aminopyridazine,6-chloropyridazin-3-ylamine,6-chloro-pyridazin-3-ylamine,unii-ijs443slzg,3-chloro-6-pyridazinamine,6-chloro-3-pyridazinylamine PubChem CID: 21643 IUPAC Name: 6-chloropyridazin-3-amine SMILES: NC1=CC=C(Cl)N=N1
| PubChem CID | 21643 |
|---|---|
| CAS | 5469-69-2 |
| Molecular Weight (g/mol) | 129.55 |
| MDL Number | MFCD00051506 |
| SMILES | NC1=CC=C(Cl)N=N1 |
| Synonym | 3-amino-6-chloropyridazine,3-pyridazinamine, 6-chloro,6-chloro-3-pyridazinamine,6-amino-3-chloropyridazine,6-chloro-3-aminopyridazine,6-chloropyridazin-3-ylamine,6-chloro-pyridazin-3-ylamine,unii-ijs443slzg,3-chloro-6-pyridazinamine,6-chloro-3-pyridazinylamine |
| IUPAC Name | 6-chloropyridazin-3-amine |
| InChI Key | DTXVKPOKPFWSFF-UHFFFAOYSA-N |
| Molecular Formula | C4H4ClN3 |
4-Cyanopyridine, 98%
CAS: 100-48-1 Molecular Formula: C6H4N2 Molecular Weight (g/mol): 104.112 MDL Number: MFCD00006417 InChI Key: GPHQHTOMRSGBNZ-UHFFFAOYSA-N Synonym: 4-cyanopyridine,isonicotinonitrile,4-pyridinecarbonitrile,isonicotinic acid nitrile,4-pyridinenitrile,4-cyano pyridine,.gamma.-cyanopyridine,gamma-cyanopyridine,p-cyanopyridine,pubchem11155 PubChem CID: 7506 ChEBI: CHEBI:28020 IUPAC Name: pyridine-4-carbonitrile SMILES: C1=CN=CC=C1C#N
| PubChem CID | 7506 |
|---|---|
| CAS | 100-48-1 |
| Molecular Weight (g/mol) | 104.112 |
| ChEBI | CHEBI:28020 |
| MDL Number | MFCD00006417 |
| SMILES | C1=CN=CC=C1C#N |
| Synonym | 4-cyanopyridine,isonicotinonitrile,4-pyridinecarbonitrile,isonicotinic acid nitrile,4-pyridinenitrile,4-cyano pyridine,.gamma.-cyanopyridine,gamma-cyanopyridine,p-cyanopyridine,pubchem11155 |
| IUPAC Name | pyridine-4-carbonitrile |
| InChI Key | GPHQHTOMRSGBNZ-UHFFFAOYSA-N |
| Molecular Formula | C6H4N2 |
7-(2,3-Dihydroxypropyl)theophylline, 99%
CAS: 479-18-5 Molecular Formula: C10H14N4O4 Molecular Weight (g/mol): 254.24 MDL Number: MFCD00005759 InChI Key: KSCFJBIXMNOVSH-UHFFFAOYSA-N Synonym: dyphylline,diprophylline,diphylline,7-2,3-dihydroxypropyl theophylline,diprophyllin,glyphylline,neothylline,lufyllin,aristophyllin,diprofilline PubChem CID: 3182 ChEBI: CHEBI:4728 IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
| PubChem CID | 3182 |
|---|---|
| CAS | 479-18-5 |
| Molecular Weight (g/mol) | 254.24 |
| ChEBI | CHEBI:4728 |
| MDL Number | MFCD00005759 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O |
| Synonym | dyphylline,diprophylline,diphylline,7-2,3-dihydroxypropyl theophylline,diprophyllin,glyphylline,neothylline,lufyllin,aristophyllin,diprofilline |
| IUPAC Name | 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione |
| InChI Key | KSCFJBIXMNOVSH-UHFFFAOYSA-N |
| Molecular Formula | C10H14N4O4 |
2-Imidazolidone hemihydrate, 99+%
CAS: 121325-67-5 Molecular Formula: C6H14N4O3 Molecular Weight (g/mol): 190.20 MDL Number: MFCD02662355 InChI Key: KPRJGGOOWATRNT-UHFFFAOYSA-N Synonym: imidazolidin-2-one hydrate,2-imidazolidinone hemihydrate,2-imidazolidone hemihydrate,bis imidazolidin-2-one hydrate,bis imidazolidinone hydrate,2-imidazolidinone, hydrate 2:1,imidazolidin-2-one, imidazolidin-2-one, hydrate PubChem CID: 2723651 IUPAC Name: imidazolidin-2-one;hydrate SMILES: O.O=C1NCCN1.O=C1NCCN1
| PubChem CID | 2723651 |
|---|---|
| CAS | 121325-67-5 |
| Molecular Weight (g/mol) | 190.20 |
| MDL Number | MFCD02662355 |
| SMILES | O.O=C1NCCN1.O=C1NCCN1 |
| Synonym | imidazolidin-2-one hydrate,2-imidazolidinone hemihydrate,2-imidazolidone hemihydrate,bis imidazolidin-2-one hydrate,bis imidazolidinone hydrate,2-imidazolidinone, hydrate 2:1,imidazolidin-2-one, imidazolidin-2-one, hydrate |
| IUPAC Name | imidazolidin-2-one;hydrate |
| InChI Key | KPRJGGOOWATRNT-UHFFFAOYSA-N |
| Molecular Formula | C6H14N4O3 |
Pentadecanolide, 98%
CAS: 106-02-5 Molecular Formula: C15H28O2 Molecular Weight (g/mol): 240.387 MDL Number: MFCD00039667 InChI Key: FKUPPRZPSYCDRS-UHFFFAOYSA-N Synonym: cyclopentadecanolide,exaltolide,pentadecanolide,15-pentadecanolide,pentalide,thibetolide,pentadecan-15-olide,pentadecalactone,muskalactone,muskolactone PubChem CID: 235414 IUPAC Name: oxacyclohexadecan-2-one SMILES: C1CCCCCCCOC(=O)CCCCCC1
| PubChem CID | 235414 |
|---|---|
| CAS | 106-02-5 |
| Molecular Weight (g/mol) | 240.387 |
| MDL Number | MFCD00039667 |
| SMILES | C1CCCCCCCOC(=O)CCCCCC1 |
| Synonym | cyclopentadecanolide,exaltolide,pentadecanolide,15-pentadecanolide,pentalide,thibetolide,pentadecan-15-olide,pentadecalactone,muskalactone,muskolactone |
| IUPAC Name | oxacyclohexadecan-2-one |
| InChI Key | FKUPPRZPSYCDRS-UHFFFAOYSA-N |
| Molecular Formula | C15H28O2 |
4-Nitroimidazole, 97%
CAS: 3034-38-6 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.08 MDL Number: MFCD00005196 InChI Key: VYDWQPKRHOGLPA-UHFFFAOYSA-N Synonym: 4-nitroimidazole,4-nitro-1h-imidazole,1h-imidazole, 4-nitro,5-nitroimidazole,4 5-nitroimidazole,imidazole, 4-nitro,1h-imidazole, 5-nitro,unii-y8u32az5o7,5 4-nitroimidazole,4-nitro-3h-imidazole PubChem CID: 18208 ChEBI: CHEBI:64635 IUPAC Name: 5-nitro-1H-imidazole SMILES: [O-][N+](=O)C1=CN=CN1
| PubChem CID | 18208 |
|---|---|
| CAS | 3034-38-6 |
| Molecular Weight (g/mol) | 113.08 |
| ChEBI | CHEBI:64635 |
| MDL Number | MFCD00005196 |
| SMILES | [O-][N+](=O)C1=CN=CN1 |
| Synonym | 4-nitroimidazole,4-nitro-1h-imidazole,1h-imidazole, 4-nitro,5-nitroimidazole,4 5-nitroimidazole,imidazole, 4-nitro,1h-imidazole, 5-nitro,unii-y8u32az5o7,5 4-nitroimidazole,4-nitro-3h-imidazole |
| IUPAC Name | 5-nitro-1H-imidazole |
| InChI Key | VYDWQPKRHOGLPA-UHFFFAOYSA-N |
| Molecular Formula | C3H3N3O2 |
Creatinine, 98%
CAS: 60-27-5 Molecular Formula: C4H7N3O Molecular Weight (g/mol): 113.12 InChI Key: DDRJAANPRJIHGJ-UHFFFAOYSA-N Synonym: creatinine,2-imino-1-methylimidazolidin-4-one,1-methylglycocyamidine,1-methylhydantoin-2-imide,creatinine,heated,4h-imidazol-4-one, 2-amino-1,5-dihydro-1-methyl,2-amino-1-methylimidazolin-4-one,creatinina,kreatinin,unii-ayi8ex34eu PubChem CID: 588 ChEBI: CHEBI:16737 IUPAC Name: 2-amino-3-methyl-4H-imidazol-5-one SMILES: CN1CC(=O)N=C1N
| PubChem CID | 588 |
|---|---|
| CAS | 60-27-5 |
| Molecular Weight (g/mol) | 113.12 |
| ChEBI | CHEBI:16737 |
| SMILES | CN1CC(=O)N=C1N |
| Synonym | creatinine,2-imino-1-methylimidazolidin-4-one,1-methylglycocyamidine,1-methylhydantoin-2-imide,creatinine,heated,4h-imidazol-4-one, 2-amino-1,5-dihydro-1-methyl,2-amino-1-methylimidazolin-4-one,creatinina,kreatinin,unii-ayi8ex34eu |
| IUPAC Name | 2-amino-3-methyl-4H-imidazol-5-one |
| InChI Key | DDRJAANPRJIHGJ-UHFFFAOYSA-N |
| Molecular Formula | C4H7N3O |
3-Octylthiophene, 97%, Thermo Scientific Chemicals
CAS: 65016-62-8 MDL Number: MFCD00085281 InChI Key: WQYWXQCOYRZFAV-UHFFFAOYSA-N Synonym: 3-n-octylthiophene,thiophene, 3-octyl,acmc-1bfcd,3-octylthiophene,ksc491i4b,bidd:gt0691 PubChem CID: 566852 IUPAC Name: 3-octylthiophene SMILES: CCCCCCCCC1=CSC=C1
| PubChem CID | 566852 |
|---|---|
| CAS | 65016-62-8 |
| MDL Number | MFCD00085281 |
| SMILES | CCCCCCCCC1=CSC=C1 |
| Synonym | 3-n-octylthiophene,thiophene, 3-octyl,acmc-1bfcd,3-octylthiophene,ksc491i4b,bidd:gt0691 |
| IUPAC Name | 3-octylthiophene |
| InChI Key | WQYWXQCOYRZFAV-UHFFFAOYSA-N |
N-Methylpyrrole, 99+%
CAS: 96-54-8 Molecular Formula: C5H7N Molecular Weight (g/mol): 81.12 MDL Number: MFCD00005345 InChI Key: OXHNLMTVIGZXSG-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrrole,n-methylpyrrole,n-methyl pyrrole,1h-pyrrole, 1-methyl,pyrrole, 1-methyl,methylpyrrole,n-methylpyrrol,1-methylpyrrol,unii-ng5gpn98zg,ccris 2934 PubChem CID: 7304 IUPAC Name: 1-methylpyrrole SMILES: CN1C=CC=C1
| PubChem CID | 7304 |
|---|---|
| CAS | 96-54-8 |
| Molecular Weight (g/mol) | 81.12 |
| MDL Number | MFCD00005345 |
| SMILES | CN1C=CC=C1 |
| Synonym | 1-methyl-1h-pyrrole,n-methylpyrrole,n-methyl pyrrole,1h-pyrrole, 1-methyl,pyrrole, 1-methyl,methylpyrrole,n-methylpyrrol,1-methylpyrrol,unii-ng5gpn98zg,ccris 2934 |
| IUPAC Name | 1-methylpyrrole |
| InChI Key | OXHNLMTVIGZXSG-UHFFFAOYSA-N |
| Molecular Formula | C5H7N |
Thiophene-2-carboxaldoxime, 98+%
CAS: 29683-84-9 Molecular Formula: C5H5NOS Molecular Weight (g/mol): 127.16 MDL Number: MFCD00022509 InChI Key: GASLBPLHYRZLLT-GQCTYLIASA-N Synonym: thiophene-2-carbaldehyde oxime,2-thiophenecarboxaldehyde, oxime,thiophene-2-carboxaldoxime,thiophene-2-aldoxime,2-thiophenealdehyde oxime,e-n-thiophen-2-ylmethylidene hydroxylamine,e-thiophene-2-carbaldehyde oxime,thiophen-2-aldoxim,pubchem14034,2-formylthiophene oxime PubChem CID: 6876527 IUPAC Name: (NE)-N-(thiophen-2-ylmethylidene)hydroxylamine SMILES: O\N=C\C1=CC=CS1
| PubChem CID | 6876527 |
|---|---|
| CAS | 29683-84-9 |
| Molecular Weight (g/mol) | 127.16 |
| MDL Number | MFCD00022509 |
| SMILES | O\N=C\C1=CC=CS1 |
| Synonym | thiophene-2-carbaldehyde oxime,2-thiophenecarboxaldehyde, oxime,thiophene-2-carboxaldoxime,thiophene-2-aldoxime,2-thiophenealdehyde oxime,e-n-thiophen-2-ylmethylidene hydroxylamine,e-thiophene-2-carbaldehyde oxime,thiophen-2-aldoxim,pubchem14034,2-formylthiophene oxime |
| IUPAC Name | (NE)-N-(thiophen-2-ylmethylidene)hydroxylamine |
| InChI Key | GASLBPLHYRZLLT-GQCTYLIASA-N |
| Molecular Formula | C5H5NOS |