Organoheterocyclic compounds
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Thermo Scientific Chemicals Chlorophenol Red
CAS: 4430-20-0 Molecular Formula: C19H12Cl2O5S Molecular Weight (g/mol): 423.26 MDL Number: MFCD00005877 InChI Key: WWAABJGNHFGXSJ-UHFFFAOYSA-N Synonym: chlorophenol red,chlorphenol red,chlorphenolsulfonphthalein,dichlorophenolsulfonephthalein,3,3-bis 3-chloro-4-hydroxyphenyl-3h-benzo c 1,2 oxathiole 1,1-dioxide,chlorophenol red indicator,3',3-dichlorophenolsulfonphthalein,phenol, 4,4'-1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene bis 2-chloro,3',3'-dichlorophenolsulfonaphthalein,3',3-dichlorophenol-sulfonphthalein PubChem CID: 20486 IUPAC Name: 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenol SMILES: OC1=CC=C(C=C1Cl)C1(OS(=O)(=O)C2=CC=CC=C12)C1=CC=C(O)C(Cl)=C1
| PubChem CID | 20486 |
|---|---|
| CAS | 4430-20-0 |
| Molecular Weight (g/mol) | 423.26 |
| MDL Number | MFCD00005877 |
| SMILES | OC1=CC=C(C=C1Cl)C1(OS(=O)(=O)C2=CC=CC=C12)C1=CC=C(O)C(Cl)=C1 |
| Synonym | chlorophenol red,chlorphenol red,chlorphenolsulfonphthalein,dichlorophenolsulfonephthalein,3,3-bis 3-chloro-4-hydroxyphenyl-3h-benzo c 1,2 oxathiole 1,1-dioxide,chlorophenol red indicator,3',3-dichlorophenolsulfonphthalein,phenol, 4,4'-1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene bis 2-chloro,3',3'-dichlorophenolsulfonaphthalein,3',3-dichlorophenol-sulfonphthalein |
| IUPAC Name | 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenol |
| InChI Key | WWAABJGNHFGXSJ-UHFFFAOYSA-N |
| Molecular Formula | C19H12Cl2O5S |
Furfuryl alcohol, 98%
CAS: 98-00-0 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.101 MDL Number: MFCD00003252 InChI Key: XPFVYQJUAUNWIW-UHFFFAOYSA-N Synonym: furfuryl alcohol,2-furanmethanol,2-furylmethanol,2-furancarbinol,2-furylcarbinol,furfuranol,2-furanylmethanol,furfural alcohol,2-furfuryl alcohol,5-hydroxymethylfuran PubChem CID: 7361 ChEBI: CHEBI:207496 IUPAC Name: furan-2-ylmethanol SMILES: C1=COC(=C1)CO
| PubChem CID | 7361 |
|---|---|
| CAS | 98-00-0 |
| Molecular Weight (g/mol) | 98.101 |
| ChEBI | CHEBI:207496 |
| MDL Number | MFCD00003252 |
| SMILES | C1=COC(=C1)CO |
| Synonym | furfuryl alcohol,2-furanmethanol,2-furylmethanol,2-furancarbinol,2-furylcarbinol,furfuranol,2-furanylmethanol,furfural alcohol,2-furfuryl alcohol,5-hydroxymethylfuran |
| IUPAC Name | furan-2-ylmethanol |
| InChI Key | XPFVYQJUAUNWIW-UHFFFAOYSA-N |
| Molecular Formula | C5H6O2 |
2-Amino-4,6-dimethylpyrimidine, 98%
CAS: 767-15-7 Molecular Formula: C6H9N3 Molecular Weight (g/mol): 123.16 MDL Number: MFCD00006102 InChI Key: IDQNBVFPZMCDDN-UHFFFAOYSA-N Synonym: 2-amino-4,6-dimethylpyrimidine,acetylacetoneguanidine,2-pyrimidinamine, 4,6-dimethyl,4,6-dimethyl-2-pyrimidinamine,4,6-dimethylpyrimidin-2-ylamine,4,6-dimethyl-2-aminopyrimidine,pyrimidine, 2-amino-4,6-dimethyl,unii-4s48mi253m,2-amine-4,6-dimethylpyrimidine,2-amino-4,6-dimethyl pyrimidine PubChem CID: 13021 IUPAC Name: 4,6-dimethylpyrimidin-2-amine SMILES: CC1=CC(C)=NC(N)=N1
| PubChem CID | 13021 |
|---|---|
| CAS | 767-15-7 |
| Molecular Weight (g/mol) | 123.16 |
| MDL Number | MFCD00006102 |
| SMILES | CC1=CC(C)=NC(N)=N1 |
| Synonym | 2-amino-4,6-dimethylpyrimidine,acetylacetoneguanidine,2-pyrimidinamine, 4,6-dimethyl,4,6-dimethyl-2-pyrimidinamine,4,6-dimethylpyrimidin-2-ylamine,4,6-dimethyl-2-aminopyrimidine,pyrimidine, 2-amino-4,6-dimethyl,unii-4s48mi253m,2-amine-4,6-dimethylpyrimidine,2-amino-4,6-dimethyl pyrimidine |
| IUPAC Name | 4,6-dimethylpyrimidin-2-amine |
| InChI Key | IDQNBVFPZMCDDN-UHFFFAOYSA-N |
| Molecular Formula | C6H9N3 |
Lepidine, 97%
CAS: 491-35-0 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.189 MDL Number: MFCD00006784 InChI Key: MUDSDYNRBDKLGK-UHFFFAOYSA-N Synonym: lepidine,quinoline, 4-methyl,cincholepidine,lepidin,p-methylquinoline,4-lepidine,gamma-methylquinoline,4-methyl-quinoline,4-methyl quinoline,ccris 2894 PubChem CID: 10285 ChEBI: CHEBI:48983 IUPAC Name: 4-methylquinoline SMILES: CC1=CC=NC2=CC=CC=C12
| PubChem CID | 10285 |
|---|---|
| CAS | 491-35-0 |
| Molecular Weight (g/mol) | 143.189 |
| ChEBI | CHEBI:48983 |
| MDL Number | MFCD00006784 |
| SMILES | CC1=CC=NC2=CC=CC=C12 |
| Synonym | lepidine,quinoline, 4-methyl,cincholepidine,lepidin,p-methylquinoline,4-lepidine,gamma-methylquinoline,4-methyl-quinoline,4-methyl quinoline,ccris 2894 |
| IUPAC Name | 4-methylquinoline |
| InChI Key | MUDSDYNRBDKLGK-UHFFFAOYSA-N |
| Molecular Formula | C10H9N |
3-Amino-1H-pyrazole, 97+%
CAS: 1820-80-0 Molecular Formula: C3H5N3 Molecular Weight (g/mol): 83.094 MDL Number: MFCD00005236 InChI Key: JVVRJMXHNUAPHW-UHFFFAOYSA-N Synonym: 3-aminopyrazole,1h-pyrazol-3-amine,1h-pyrazole-5-amine,5-aminopyrazole,1h-pyrazol-3-ylamine,3-amino-1h-pyrazole,3-aminopyrozole,5-amino-1h-pyrazole,aminopyrazole,3-pyrazolamine PubChem CID: 74561 IUPAC Name: 1H-pyrazol-5-amine SMILES: C1=C(NN=C1)N
| PubChem CID | 74561 |
|---|---|
| CAS | 1820-80-0 |
| Molecular Weight (g/mol) | 83.094 |
| MDL Number | MFCD00005236 |
| SMILES | C1=C(NN=C1)N |
| Synonym | 3-aminopyrazole,1h-pyrazol-3-amine,1h-pyrazole-5-amine,5-aminopyrazole,1h-pyrazol-3-ylamine,3-amino-1h-pyrazole,3-aminopyrozole,5-amino-1h-pyrazole,aminopyrazole,3-pyrazolamine |
| IUPAC Name | 1H-pyrazol-5-amine |
| InChI Key | JVVRJMXHNUAPHW-UHFFFAOYSA-N |
| Molecular Formula | C3H5N3 |
2-Bromo-5-nitrothiazole, 98%
CAS: 3034-48-8 Molecular Formula: C3HBrN2O2S Molecular Weight (g/mol): 209.02 MDL Number: MFCD00005317 InChI Key: ANIJFZVZXZQFDH-UHFFFAOYSA-N Synonym: 2-bromo-5-nitrothiazole,thiazole, 2-bromo-5-nitro,5-nitro-2-bromothiazole,pubchem11070,acmc-1ad6f,2-bromo-5-nitro-thiazole,4-27-00-00963 beilstein handbook reference,2-bromo-5-nitrothiozole,# PubChem CID: 18211 IUPAC Name: 2-bromo-5-nitro-1,3-thiazole SMILES: [O-][N+](=O)C1=CN=C(Br)S1
| PubChem CID | 18211 |
|---|---|
| CAS | 3034-48-8 |
| Molecular Weight (g/mol) | 209.02 |
| MDL Number | MFCD00005317 |
| SMILES | [O-][N+](=O)C1=CN=C(Br)S1 |
| Synonym | 2-bromo-5-nitrothiazole,thiazole, 2-bromo-5-nitro,5-nitro-2-bromothiazole,pubchem11070,acmc-1ad6f,2-bromo-5-nitro-thiazole,4-27-00-00963 beilstein handbook reference,2-bromo-5-nitrothiozole,# |
| IUPAC Name | 2-bromo-5-nitro-1,3-thiazole |
| InChI Key | ANIJFZVZXZQFDH-UHFFFAOYSA-N |
| Molecular Formula | C3HBrN2O2S |
5-Amino-1-methyl-3-phenyl-1H-pyrazole, 97%
CAS: 10199-50-5 Molecular Formula: C10H11N3 Molecular Weight (g/mol): 173.219 MDL Number: MFCD00067874 InChI Key: KCYRMURRLLYLPU-UHFFFAOYSA-N Synonym: 1-methyl-3-phenyl-1h-pyrazol-5-amine,5-amino-1-methyl-3-phenylpyrazole,5-amino-1-methyl-3-phenyl-1h-pyrazole,2-methyl-5-phenyl-2h-pyrazol-3-ylamine,1-methyl-3-phenylpyrazole-5-ylamine,acmc-1bxci,maybridge1_004465,1-methyl-3-phenyl-5-pyrazolamine,1-methyl-3-phenyl-pyrazol-5-amine,2-methyl-5-phenyl-pyrazol-3-amine PubChem CID: 517779 IUPAC Name: 2-methyl-5-phenylpyrazol-3-amine SMILES: CN1C(=CC(=N1)C2=CC=CC=C2)N
| PubChem CID | 517779 |
|---|---|
| CAS | 10199-50-5 |
| Molecular Weight (g/mol) | 173.219 |
| MDL Number | MFCD00067874 |
| SMILES | CN1C(=CC(=N1)C2=CC=CC=C2)N |
| Synonym | 1-methyl-3-phenyl-1h-pyrazol-5-amine,5-amino-1-methyl-3-phenylpyrazole,5-amino-1-methyl-3-phenyl-1h-pyrazole,2-methyl-5-phenyl-2h-pyrazol-3-ylamine,1-methyl-3-phenylpyrazole-5-ylamine,acmc-1bxci,maybridge1_004465,1-methyl-3-phenyl-5-pyrazolamine,1-methyl-3-phenyl-pyrazol-5-amine,2-methyl-5-phenyl-pyrazol-3-amine |
| IUPAC Name | 2-methyl-5-phenylpyrazol-3-amine |
| InChI Key | KCYRMURRLLYLPU-UHFFFAOYSA-N |
| Molecular Formula | C10H11N3 |
2-Amino-4-methylpyrimidine, 97%
CAS: 108-52-1 Molecular Formula: C5H7N3 Molecular Weight (g/mol): 109.132 MDL Number: MFCD00006101 InChI Key: GHCFWKFREBNSPC-UHFFFAOYSA-N Synonym: 2-amino-4-methylpyrimidine,2-pyrimidinamine, 4-methyl,6-methyl-2-pyrimidinamine,pyrimidine, 2-amino-4-methyl,4-methyl-2-pyrimidinamine,2-amino-4-methyl-pyrimidine,4-methylpyrimidin-2-ylamine,4-methylpyrimidine-2-ylamine,4-methyl-pyrimidin-2-ylamine,2-amino-6-methylpyrimidine PubChem CID: 7939 IUPAC Name: 4-methylpyrimidin-2-amine SMILES: CC1=NC(=NC=C1)N
| PubChem CID | 7939 |
|---|---|
| CAS | 108-52-1 |
| Molecular Weight (g/mol) | 109.132 |
| MDL Number | MFCD00006101 |
| SMILES | CC1=NC(=NC=C1)N |
| Synonym | 2-amino-4-methylpyrimidine,2-pyrimidinamine, 4-methyl,6-methyl-2-pyrimidinamine,pyrimidine, 2-amino-4-methyl,4-methyl-2-pyrimidinamine,2-amino-4-methyl-pyrimidine,4-methylpyrimidin-2-ylamine,4-methylpyrimidine-2-ylamine,4-methyl-pyrimidin-2-ylamine,2-amino-6-methylpyrimidine |
| IUPAC Name | 4-methylpyrimidin-2-amine |
| InChI Key | GHCFWKFREBNSPC-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3 |
Thiophene-2-carboxamide, 99%
CAS: 5813-89-8 Molecular Formula: C5H5NOS Molecular Weight (g/mol): 127.161 MDL Number: MFCD00010425 InChI Key: DENPQNAWGQXKCU-UHFFFAOYSA-N Synonym: 2-thiophenecarboxamide,2-thienylamide,2-thenamide,thiophen-2-carboxamide,2-aminocarbonyl thiophene,2-thienylamide french,thiophenecarboxamide,thiolamide,acmc-1ao1m,5-18-06-00162 beilstein handbook reference PubChem CID: 22063 IUPAC Name: thiophene-2-carboxamide SMILES: C1=CSC(=C1)C(=O)N
| PubChem CID | 22063 |
|---|---|
| CAS | 5813-89-8 |
| Molecular Weight (g/mol) | 127.161 |
| MDL Number | MFCD00010425 |
| SMILES | C1=CSC(=C1)C(=O)N |
| Synonym | 2-thiophenecarboxamide,2-thienylamide,2-thenamide,thiophen-2-carboxamide,2-aminocarbonyl thiophene,2-thienylamide french,thiophenecarboxamide,thiolamide,acmc-1ao1m,5-18-06-00162 beilstein handbook reference |
| IUPAC Name | thiophene-2-carboxamide |
| InChI Key | DENPQNAWGQXKCU-UHFFFAOYSA-N |
| Molecular Formula | C5H5NOS |
2-Benzoxazolinone, 98%
CAS: 59-49-4 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.12 MDL Number: MFCD00005716 InChI Key: ASSKVPFEZFQQNQ-UHFFFAOYSA-N Synonym: 2-benzoxazolinone,benzoxazolinone,benzoxazolone,2-hydroxybenzoxazole,2-benzoxazolol,2 3h-benzoxazolone,1,3-benzoxazol-2 3h-one,2-benzoxazolone,benzo d oxazol-2 3h-one,benzoxazolin-2-one PubChem CID: 6043 IUPAC Name: 2,3-dihydro-1,3-benzoxazol-2-one SMILES: O=C1NC2=CC=CC=C2O1
| PubChem CID | 6043 |
|---|---|
| CAS | 59-49-4 |
| Molecular Weight (g/mol) | 135.12 |
| MDL Number | MFCD00005716 |
| SMILES | O=C1NC2=CC=CC=C2O1 |
| Synonym | 2-benzoxazolinone,benzoxazolinone,benzoxazolone,2-hydroxybenzoxazole,2-benzoxazolol,2 3h-benzoxazolone,1,3-benzoxazol-2 3h-one,2-benzoxazolone,benzo d oxazol-2 3h-one,benzoxazolin-2-one |
| IUPAC Name | 2,3-dihydro-1,3-benzoxazol-2-one |
| InChI Key | ASSKVPFEZFQQNQ-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO2 |
Indole-5-carboxylic acid, 98%
CAS: 1670-81-1 Molecular Formula: C9H6NO2 Molecular Weight (g/mol): 160.15 MDL Number: MFCD00005678 InChI Key: IENZCGNHSIMFJE-UHFFFAOYSA-M Synonym: indole-5-carboxylic acid,5-carboxyindole,5-indolecarboxylic acid,indole-5-carboxylic aicd,pubchem1694,5-carboxy-1h-indole,indole-5-carboxylicacid,indol-5-carboxylic acid,5-indole carboxylic acid,indole 5-carboxylic acid PubChem CID: 74280 IUPAC Name: 1H-indole-5-carboxylic acid SMILES: [O-]C(=O)C1=CC=C2NC=CC2=C1
| PubChem CID | 74280 |
|---|---|
| CAS | 1670-81-1 |
| Molecular Weight (g/mol) | 160.15 |
| MDL Number | MFCD00005678 |
| SMILES | [O-]C(=O)C1=CC=C2NC=CC2=C1 |
| Synonym | indole-5-carboxylic acid,5-carboxyindole,5-indolecarboxylic acid,indole-5-carboxylic aicd,pubchem1694,5-carboxy-1h-indole,indole-5-carboxylicacid,indol-5-carboxylic acid,5-indole carboxylic acid,indole 5-carboxylic acid |
| IUPAC Name | 1H-indole-5-carboxylic acid |
| InChI Key | IENZCGNHSIMFJE-UHFFFAOYSA-M |
| Molecular Formula | C9H6NO2 |
2-(3-Phenylpropyl)pyridine, 99%
CAS: 2110-18-1 Molecular Formula: C14H15N Molecular Weight (g/mol): 197.28 MDL Number: MFCD00191237 InChI Key: JJJPNTQYUJPWGQ-UHFFFAOYSA-N Synonym: 2-3-phenylpropyl pyridine,pyridine, 2-3-phenylpropyl,unii-9f0bfm744f,alpha-3-phenylpropyl pyridine,2-phenylpropylpyridine,cortex pyridine,phenylpropylpyridine,3-phenylpropyl pyridine,acmc-1cs6o,dsstox_cid_22356 PubChem CID: 459494 IUPAC Name: 2-(3-phenylpropyl)pyridine SMILES: C(CC1=CC=CC=C1)CC1=CC=CC=N1
| PubChem CID | 459494 |
|---|---|
| CAS | 2110-18-1 |
| Molecular Weight (g/mol) | 197.28 |
| MDL Number | MFCD00191237 |
| SMILES | C(CC1=CC=CC=C1)CC1=CC=CC=N1 |
| Synonym | 2-3-phenylpropyl pyridine,pyridine, 2-3-phenylpropyl,unii-9f0bfm744f,alpha-3-phenylpropyl pyridine,2-phenylpropylpyridine,cortex pyridine,phenylpropylpyridine,3-phenylpropyl pyridine,acmc-1cs6o,dsstox_cid_22356 |
| IUPAC Name | 2-(3-phenylpropyl)pyridine |
| InChI Key | JJJPNTQYUJPWGQ-UHFFFAOYSA-N |
| Molecular Formula | C14H15N |
3-Ethoxythiophene-2-carboxylic acid, 97%
CAS: 139926-23-1 Molecular Formula: C7H8O3S Molecular Weight (g/mol): 172.198 MDL Number: MFCD00205205 InChI Key: FTKDCOINUAYGTC-UHFFFAOYSA-N PubChem CID: 2777652 IUPAC Name: 3-ethoxythiophene-2-carboxylic acid SMILES: CCOC1=C(SC=C1)C(=O)O
| PubChem CID | 2777652 |
|---|---|
| CAS | 139926-23-1 |
| Molecular Weight (g/mol) | 172.198 |
| MDL Number | MFCD00205205 |
| SMILES | CCOC1=C(SC=C1)C(=O)O |
| IUPAC Name | 3-ethoxythiophene-2-carboxylic acid |
| InChI Key | FTKDCOINUAYGTC-UHFFFAOYSA-N |
| Molecular Formula | C7H8O3S |
2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic acid, Thermo Scientific™
CAS: 257876-07-6 Molecular Formula: C10H5Cl2NO2S Molecular Weight (g/mol): 274.115 InChI Key: ANTJCNIMRNBFMJ-UHFFFAOYSA-N Synonym: 2-2,3-dichlorophenyl-1,3-thiazole-4-carboxylic acid,2-2,3-dichloro-phenyl-thiazole-4-carboxylic acid,2-2,3-dichlorophenyl thiazole-4-carboxylic acid,4-thiazolecarboxylicacid, 2-2,3-dichlorophenyl PubChem CID: 2743987 IUPAC Name: 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic acid SMILES: C1=CC(=C(C(=C1)Cl)Cl)C2=NC(=CS2)C(=O)O
| PubChem CID | 2743987 |
|---|---|
| CAS | 257876-07-6 |
| Molecular Weight (g/mol) | 274.115 |
| SMILES | C1=CC(=C(C(=C1)Cl)Cl)C2=NC(=CS2)C(=O)O |
| Synonym | 2-2,3-dichlorophenyl-1,3-thiazole-4-carboxylic acid,2-2,3-dichloro-phenyl-thiazole-4-carboxylic acid,2-2,3-dichlorophenyl thiazole-4-carboxylic acid,4-thiazolecarboxylicacid, 2-2,3-dichlorophenyl |
| IUPAC Name | 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic acid |
| InChI Key | ANTJCNIMRNBFMJ-UHFFFAOYSA-N |
| Molecular Formula | C10H5Cl2NO2S |
Adenine Hemisulfate Dihydrate MP Biomedicals
CAS: 6509-19-9 Molecular Formula: C10H16N10O6S Molecular Weight (g/mol): 404.36 MDL Number: MFCD00150149 InChI Key: MKPCNMXYTMQZBE-UHFFFAOYSA-N Synonym: 9h-purin-6-amine hemisulfate dihydrate,adenine hemisulfate dihydrate,6-aminopurine sulfate dihydrate,bis ade sulfuric acid dihydrate,sulfuric acid bis vitamin b4 dihydrate,bis adenine sulfuric acid dihydrate,sulfuric acid-7h-purin-6-amine-water 1/2/2 PubChem CID: 44134512 IUPAC Name: bis(7H-purin-6-amine) sulfuric acid dihydrate SMILES: O.O.OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
| PubChem CID | 44134512 |
|---|---|
| CAS | 6509-19-9 |
| Molecular Weight (g/mol) | 404.36 |
| MDL Number | MFCD00150149 |
| SMILES | O.O.OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1 |
| Synonym | 9h-purin-6-amine hemisulfate dihydrate,adenine hemisulfate dihydrate,6-aminopurine sulfate dihydrate,bis ade sulfuric acid dihydrate,sulfuric acid bis vitamin b4 dihydrate,bis adenine sulfuric acid dihydrate,sulfuric acid-7h-purin-6-amine-water 1/2/2 |
| IUPAC Name | bis(7H-purin-6-amine) sulfuric acid dihydrate |
| InChI Key | MKPCNMXYTMQZBE-UHFFFAOYSA-N |
| Molecular Formula | C10H16N10O6S |