Organoheterocyclic compounds
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2-Ethyl-5,5-dimethyl-1,3-dioxane, 99%
CAS: 768-58-1 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD16622268 InChI Key: QSHOOPIYPOINNH-UHFFFAOYSA-N Synonym: solution in acetonitrile 1000mg/l,1,3-dioxane, 2-ethyl-5,5-dimethyl PubChem CID: 69852 IUPAC Name: 2-ethyl-5,5-dimethyl-1,3-dioxane SMILES: CCC1OCC(CO1)(C)C
| PubChem CID | 69852 |
|---|---|
| CAS | 768-58-1 |
| Molecular Weight (g/mol) | 144.214 |
| MDL Number | MFCD16622268 |
| SMILES | CCC1OCC(CO1)(C)C |
| Synonym | solution in acetonitrile 1000mg/l,1,3-dioxane, 2-ethyl-5,5-dimethyl |
| IUPAC Name | 2-ethyl-5,5-dimethyl-1,3-dioxane |
| InChI Key | QSHOOPIYPOINNH-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
2-Mercaptobenzothiazole 99.0+%, TCI America™
CAS: 149-30-4 Molecular Formula: C7H5NS2 Molecular Weight (g/mol): 167.244 MDL Number: MFCD00005781 InChI Key: YXIWHUQXZSMYRE-UHFFFAOYSA-N Synonym: 2-mercaptobenzothiazole,2-benzothiazolethiol,captax,benzothiazolethiol,2 3h-benzothiazolethione,benzothiazole-2-thiol,1,3-benzothiazole-2-thiol,benzo d thiazole-2-thiol,rokon,rotax PubChem CID: 697993 ChEBI: CHEBI:34292 IUPAC Name: 3H-1,3-benzothiazole-2-thione SMILES: C1=CC=C2C(=C1)NC(=S)S2
| PubChem CID | 697993 |
|---|---|
| CAS | 149-30-4 |
| Molecular Weight (g/mol) | 167.244 |
| ChEBI | CHEBI:34292 |
| MDL Number | MFCD00005781 |
| SMILES | C1=CC=C2C(=C1)NC(=S)S2 |
| Synonym | 2-mercaptobenzothiazole,2-benzothiazolethiol,captax,benzothiazolethiol,2 3h-benzothiazolethione,benzothiazole-2-thiol,1,3-benzothiazole-2-thiol,benzo d thiazole-2-thiol,rokon,rotax |
| IUPAC Name | 3H-1,3-benzothiazole-2-thione |
| InChI Key | YXIWHUQXZSMYRE-UHFFFAOYSA-N |
| Molecular Formula | C7H5NS2 |
3,4-Lutidine, 98+%
CAS: 583-58-4 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.156 MDL Number: MFCD00006403 InChI Key: NURQLCJSMXZBPC-UHFFFAOYSA-N PubChem CID: 11417 IUPAC Name: 3,4-dimethylpyridine SMILES: CC1=C(C=NC=C1)C
| PubChem CID | 11417 |
|---|---|
| CAS | 583-58-4 |
| Molecular Weight (g/mol) | 107.156 |
| MDL Number | MFCD00006403 |
| SMILES | CC1=C(C=NC=C1)C |
| IUPAC Name | 3,4-dimethylpyridine |
| InChI Key | NURQLCJSMXZBPC-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
2-Methylthiophene, 98%
CAS: 554-14-3 Molecular Formula: C5H6S Molecular Weight (g/mol): 98.16 MDL Number: MFCD00005451 InChI Key: XQQBUAPQHNYYRS-UHFFFAOYSA-N Synonym: thiophene, 2-methyl,2-methyl thiophene,thiophene, methyl,alpha-methylthiophene,ccris 2936,2-methyl-thiophene,unii-7115jap77a,2-methylthiacyclopentadiene,a-thiotolene,pubchem5204 PubChem CID: 11126 IUPAC Name: 2-methylthiophene SMILES: CC1=CC=CS1
| PubChem CID | 11126 |
|---|---|
| CAS | 554-14-3 |
| Molecular Weight (g/mol) | 98.16 |
| MDL Number | MFCD00005451 |
| SMILES | CC1=CC=CS1 |
| Synonym | thiophene, 2-methyl,2-methyl thiophene,thiophene, methyl,alpha-methylthiophene,ccris 2936,2-methyl-thiophene,unii-7115jap77a,2-methylthiacyclopentadiene,a-thiotolene,pubchem5204 |
| IUPAC Name | 2-methylthiophene |
| InChI Key | XQQBUAPQHNYYRS-UHFFFAOYSA-N |
| Molecular Formula | C5H6S |
Benzo[b]thiophene-3-carboxylic acid, 96%
CAS: 5381-25-9 Molecular Formula: C9H6O2S Molecular Weight (g/mol): 178.205 MDL Number: MFCD01846406 InChI Key: DRBLTQNCQJXSNU-UHFFFAOYSA-N Synonym: benzo b thiophene-3-carboxylic acid,benzothiophene-3-carboxylic acid,benzothiophene-3-carboxylicacid,pubchem13463,acmc-20a10z,ksc178m8d,1-benzo b thiophene-3-carboxylic acid,#,thianaphthene-3-carboxylic acid PubChem CID: 601280 IUPAC Name: 1-benzothiophene-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=CS2)C(=O)O
| PubChem CID | 601280 |
|---|---|
| CAS | 5381-25-9 |
| Molecular Weight (g/mol) | 178.205 |
| MDL Number | MFCD01846406 |
| SMILES | C1=CC=C2C(=C1)C(=CS2)C(=O)O |
| Synonym | benzo b thiophene-3-carboxylic acid,benzothiophene-3-carboxylic acid,benzothiophene-3-carboxylicacid,pubchem13463,acmc-20a10z,ksc178m8d,1-benzo b thiophene-3-carboxylic acid,#,thianaphthene-3-carboxylic acid |
| IUPAC Name | 1-benzothiophene-3-carboxylic acid |
| InChI Key | DRBLTQNCQJXSNU-UHFFFAOYSA-N |
| Molecular Formula | C9H6O2S |
Caffeine, 1mg/ml in methanol
CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C
| PubChem CID | 2519 |
|---|---|
| CAS | 58-08-2 |
| Molecular Weight (g/mol) | 194.19 |
| ChEBI | CHEBI:27732 |
| MDL Number | MFCD00005758 |
| SMILES | CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
| Synonym | caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep |
| IUPAC Name | 1,3,7-trimethylpurine-2,6-dione |
| InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| Molecular Formula | C8H10N4O2 |
Dimidium bromide, 98%
CAS: 518-67-2 Molecular Formula: C20H18BrN3 Molecular Weight (g/mol): 380.29 MDL Number: MFCD00011757 InChI Key: MQOKYEROIFEEBH-UHFFFAOYSA-N Synonym: dimidium bromide,trypadine,3,8-diamino-5-methyl-6-phenylphenanthridinium bromide,phenanthridinium 1553,phenanthridinium compound 1553,phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide,2,7-diamino-10-methyl-9-phenylphenanthridinium bromide,3,8-diamino-5-methyl-6-phenylphenanthridin-5-ium bromide,phenanthridium 1553 PubChem CID: 68207 IUPAC Name: 5-methyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromide SMILES: [Br-].C[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=CC=C(N)C=C12
| PubChem CID | 68207 |
|---|---|
| CAS | 518-67-2 |
| Molecular Weight (g/mol) | 380.29 |
| MDL Number | MFCD00011757 |
| SMILES | [Br-].C[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=CC=C(N)C=C12 |
| Synonym | dimidium bromide,trypadine,3,8-diamino-5-methyl-6-phenylphenanthridinium bromide,phenanthridinium 1553,phenanthridinium compound 1553,phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide,2,7-diamino-10-methyl-9-phenylphenanthridinium bromide,3,8-diamino-5-methyl-6-phenylphenanthridin-5-ium bromide,phenanthridium 1553 |
| IUPAC Name | 5-methyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromide |
| InChI Key | MQOKYEROIFEEBH-UHFFFAOYSA-N |
| Molecular Formula | C20H18BrN3 |
Pyromellitic dianhydride, 98%
CAS: 89-32-7 Molecular Formula: C10H2O6 Molecular Weight (g/mol): 218.12 MDL Number: MFCD00005005 InChI Key: ANSXAPJVJOKRDJ-UHFFFAOYSA-N Synonym: pyromellitic dianhydride,pyromellitic anhydride,pyromellitic acid anhydride,1,2,4,5-benzenetetracarboxylic anhydride,pyromellitic acid dianhydride,1h,3h-benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetrone,pmda,benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetraone,unii-2z22t30qzq,1,2,4,5-benzenetetracarboxylic dianhydride PubChem CID: 6966 SMILES: O=C1OC(=O)C2=CC3=C(C=C12)C(=O)OC3=O
| PubChem CID | 6966 |
|---|---|
| CAS | 89-32-7 |
| Molecular Weight (g/mol) | 218.12 |
| MDL Number | MFCD00005005 |
| SMILES | O=C1OC(=O)C2=CC3=C(C=C12)C(=O)OC3=O |
| Synonym | pyromellitic dianhydride,pyromellitic anhydride,pyromellitic acid anhydride,1,2,4,5-benzenetetracarboxylic anhydride,pyromellitic acid dianhydride,1h,3h-benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetrone,pmda,benzo 1,2-c:4,5-c' difuran-1,3,5,7-tetraone,unii-2z22t30qzq,1,2,4,5-benzenetetracarboxylic dianhydride |
| InChI Key | ANSXAPJVJOKRDJ-UHFFFAOYSA-N |
| Molecular Formula | C10H2O6 |
Sodium Dichloroisocyanurate 97.0+%, TCI America™
CAS: 2893-78-9 Molecular Formula: C3HCl2N3NaO3 Molecular Weight (g/mol): 220.949 MDL Number: MFCD00006036 InChI Key: UNWRHVZXVVTASG-UHFFFAOYSA-N Synonym: sodium dichlorocyanuric acid,1,3,5-triazine-2,4,6 1h,3h,5h-trione, 1,3-dichloro-, sodium salt PubChem CID: 86657659 IUPAC Name: 1,3-dichloro-1,3,5-triazinane-2,4,6-trione;sodium SMILES: C1(=O)NC(=O)N(C(=O)N1Cl)Cl.[Na]
| PubChem CID | 86657659 |
|---|---|
| CAS | 2893-78-9 |
| Molecular Weight (g/mol) | 220.949 |
| MDL Number | MFCD00006036 |
| SMILES | C1(=O)NC(=O)N(C(=O)N1Cl)Cl.[Na] |
| Synonym | sodium dichlorocyanuric acid,1,3,5-triazine-2,4,6 1h,3h,5h-trione, 1,3-dichloro-, sodium salt |
| IUPAC Name | 1,3-dichloro-1,3,5-triazinane-2,4,6-trione;sodium |
| InChI Key | UNWRHVZXVVTASG-UHFFFAOYSA-N |
| Molecular Formula | C3HCl2N3NaO3 |
Tris(2,2'-bipyridyl)ruthenium(II) chloride, hexahydrate, 98%
CAS: 50525-27-4 Molecular Formula: C30H36Cl2N6O6Ru Molecular Weight (g/mol): 748.62 MDL Number: MFCD00149670 InChI Key: WHELTKFSBJNBMQ-UHFFFAOYSA-L Synonym: tris 2,2'-bipyridyl ruthenium ii chloride hexahydrate PubChem CID: 131664161 IUPAC Name: 2-pyridin-2-ylpyridine;ruthenium(2+);dichloride;hydrate SMILES: O.O.O.O.O.O.[Cl-].[Cl-].[Ru++].C1=CN=C(C=C1)C1=NC=CC=C1.C1=CN=C(C=C1)C1=NC=CC=C1.C1=CN=C(C=C1)C1=NC=CC=C1
| PubChem CID | 131664161 |
|---|---|
| CAS | 50525-27-4 |
| Molecular Weight (g/mol) | 748.62 |
| MDL Number | MFCD00149670 |
| SMILES | O.O.O.O.O.O.[Cl-].[Cl-].[Ru++].C1=CN=C(C=C1)C1=NC=CC=C1.C1=CN=C(C=C1)C1=NC=CC=C1.C1=CN=C(C=C1)C1=NC=CC=C1 |
| Synonym | tris 2,2'-bipyridyl ruthenium ii chloride hexahydrate |
| IUPAC Name | 2-pyridin-2-ylpyridine;ruthenium(2+);dichloride;hydrate |
| InChI Key | WHELTKFSBJNBMQ-UHFFFAOYSA-L |
| Molecular Formula | C30H36Cl2N6O6Ru |
Citrinin, MP Biomedicals™
CAS: 518-75-2 Molecular Formula: C13H14O5 Molecular Weight (g/mol): 250.25 InChI Key: CBGDIJWINPWWJW-IYSWYEEDSA-N Synonym: citrinin,antimycin,--citrinin,citriain,3r,4s-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid,unii-3s697x6snz,ccris 175,3h-2-benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, 3r-trans,3r-trans-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid,4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid PubChem CID: 54680783 IUPAC Name: (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid SMILES: CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C
| PubChem CID | 54680783 |
|---|---|
| CAS | 518-75-2 |
| Molecular Weight (g/mol) | 250.25 |
| SMILES | CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C |
| Synonym | citrinin,antimycin,--citrinin,citriain,3r,4s-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid,unii-3s697x6snz,ccris 175,3h-2-benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, 3r-trans,3r-trans-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid,4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid |
| IUPAC Name | (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid |
| InChI Key | CBGDIJWINPWWJW-IYSWYEEDSA-N |
| Molecular Formula | C13H14O5 |
Thermo Scientific Chemicals Cytosine, 98+%
CAS: 71-30-7 Molecular Formula: C4H5N3O Molecular Weight (g/mol): 111.10 MDL Number: MFCD00006034 InChI Key: OPTASPLRGRRNAP-UHFFFAOYSA-N Synonym: cytosine,4-amino-2-hydroxypyrimidine,cytosinimine,2 1h-pyrimidinone, 4-amino,4-amino-2 1h-pyrimidinone,4-aminopyrimidin-2 1h-one,6-aminopyrimidin-2 1h-one,2 1h-pyrimidinone, 6-amino,cyt,4-amino-2-oxo-1,2-dihydropyrimidine PubChem CID: 597 ChEBI: CHEBI:16040 SMILES: NC1=CC=NC(=O)N1
| PubChem CID | 597 |
|---|---|
| CAS | 71-30-7 |
| Molecular Weight (g/mol) | 111.10 |
| ChEBI | CHEBI:16040 |
| MDL Number | MFCD00006034 |
| SMILES | NC1=CC=NC(=O)N1 |
| Synonym | cytosine,4-amino-2-hydroxypyrimidine,cytosinimine,2 1h-pyrimidinone, 4-amino,4-amino-2 1h-pyrimidinone,4-aminopyrimidin-2 1h-one,6-aminopyrimidin-2 1h-one,2 1h-pyrimidinone, 6-amino,cyt,4-amino-2-oxo-1,2-dihydropyrimidine |
| InChI Key | OPTASPLRGRRNAP-UHFFFAOYSA-N |
| Molecular Formula | C4H5N3O |
1,10-Phenanthroline monohydrate, 99+%, pure
CAS: 5144-89-8 Molecular Formula: C12H10N2O Molecular Weight (g/mol): 198.23 MDL Number: MFCD00149973 InChI Key: PPQJCISYYXZCAE-UHFFFAOYSA-N PubChem CID: 21226 SMILES: O.C1=CN=C2C(C=CC3=CC=CN=C23)=C1
| PubChem CID | 21226 |
|---|---|
| CAS | 5144-89-8 |
| Molecular Weight (g/mol) | 198.23 |
| MDL Number | MFCD00149973 |
| SMILES | O.C1=CN=C2C(C=CC3=CC=CN=C23)=C1 |
| InChI Key | PPQJCISYYXZCAE-UHFFFAOYSA-N |
| Molecular Formula | C12H10N2O |
Cyanuric chloride, 98%
CAS: 108-77-0 Molecular Formula: C3Cl3N3 Molecular Weight (g/mol): 184.40 MDL Number: MFCD00006046 InChI Key: MGNCLNQXLYJVJD-UHFFFAOYSA-N Synonym: cyanuric chloride,cyanuryl chloride,cyanuric acid chloride,s-triazine trichloride,trichlorocyanidine,cyanuric trichloride,tricyanogen chloride,sym-trichlorotriazine,cyanur chloride,trichloro-s-triazine PubChem CID: 7954 ChEBI: CHEBI:58964 SMILES: ClC1=NC(Cl)=NC(Cl)=N1
| PubChem CID | 7954 |
|---|---|
| CAS | 108-77-0 |
| Molecular Weight (g/mol) | 184.40 |
| ChEBI | CHEBI:58964 |
| MDL Number | MFCD00006046 |
| SMILES | ClC1=NC(Cl)=NC(Cl)=N1 |
| Synonym | cyanuric chloride,cyanuryl chloride,cyanuric acid chloride,s-triazine trichloride,trichlorocyanidine,cyanuric trichloride,tricyanogen chloride,sym-trichlorotriazine,cyanur chloride,trichloro-s-triazine |
| InChI Key | MGNCLNQXLYJVJD-UHFFFAOYSA-N |
| Molecular Formula | C3Cl3N3 |
Creatinine 99.0+%, TCI America™
CAS: 60-27-5 Molecular Formula: C4H7N3O Molecular Weight (g/mol): 113.12 MDL Number: MFCD00059730 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 |
| MDL Number | MFCD00059730 |
| 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 |