Organoheterocyclic compounds
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(2-Methyl-1,3-thiazol-4-yl)methanol, 97%, Thermo Scientific™
CAS: 76632-23-0 Molecular Formula: C5H7NOS Molecular Weight (g/mol): 129.177 InChI Key: KRCIFTBSQKDYMH-UHFFFAOYSA-N Synonym: 2-methyl-1,3-thiazol-4-yl methanol,2-methylthiazol-4-yl methanol,4-hydroxymethyl-2-methylthiazole,4-thiazolemethanol, 2-methyl,2-methyl-thiazol-4-yl-methanol,2-methyl-4-thiazolemethanol,4-thiazolemethanol,2-methyl,2-methyl-4-thiazolyl methanol,4-hydroxymethyl-2-methyl thiazole PubChem CID: 10582809 IUPAC Name: (2-methyl-1,3-thiazol-4-yl)methanol SMILES: CC1=NC(=CS1)CO
| PubChem CID | 10582809 |
|---|---|
| CAS | 76632-23-0 |
| Molecular Weight (g/mol) | 129.177 |
| SMILES | CC1=NC(=CS1)CO |
| Synonym | 2-methyl-1,3-thiazol-4-yl methanol,2-methylthiazol-4-yl methanol,4-hydroxymethyl-2-methylthiazole,4-thiazolemethanol, 2-methyl,2-methyl-thiazol-4-yl-methanol,2-methyl-4-thiazolemethanol,4-thiazolemethanol,2-methyl,2-methyl-4-thiazolyl methanol,4-hydroxymethyl-2-methyl thiazole |
| IUPAC Name | (2-methyl-1,3-thiazol-4-yl)methanol |
| InChI Key | KRCIFTBSQKDYMH-UHFFFAOYSA-N |
| Molecular Formula | C5H7NOS |
4-Methyl-2-(2-pyrazinyl)-1,3-thiazole-5-carboxylic acid, 97%, Thermo Scientific™
CAS: 216959-92-1 Molecular Formula: C9H7N3O2S Molecular Weight (g/mol): 221.23 MDL Number: MFCD00111662 InChI Key: XDZXQDHRHGIPRN-UHFFFAOYSA-N Synonym: 4-methyl-2-2-pyrazinyl-1,3-thiazole-5-carboxylic acid,4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid,2-5-carboxy-4-methyl-1,3-thiazol-2-yl pyrazine,4-methyl-2-2-pyrazinyl thiazole-5-carboxylic acid,4-methyl-2-2-pyrazinyl-thiazole-5-carboxylic acid,4-methyl-2-pyrazin-2-yl thiazole-5-carboxylic acid,5-carboxy-4-methyl-2-pyrazin-2-yl-1,3-thiazole,5-thiazolecarboxylicacid, 4-methyl-2-2-pyrazinyl,5-thiazolecarboxylic acid, 4-methyl-2-2-pyrazinyl PubChem CID: 2776505 IUPAC Name: 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid SMILES: CC1=C(SC(=N1)C1=NC=CN=C1)C(O)=O
| PubChem CID | 2776505 |
|---|---|
| CAS | 216959-92-1 |
| Molecular Weight (g/mol) | 221.23 |
| MDL Number | MFCD00111662 |
| SMILES | CC1=C(SC(=N1)C1=NC=CN=C1)C(O)=O |
| Synonym | 4-methyl-2-2-pyrazinyl-1,3-thiazole-5-carboxylic acid,4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid,2-5-carboxy-4-methyl-1,3-thiazol-2-yl pyrazine,4-methyl-2-2-pyrazinyl thiazole-5-carboxylic acid,4-methyl-2-2-pyrazinyl-thiazole-5-carboxylic acid,4-methyl-2-pyrazin-2-yl thiazole-5-carboxylic acid,5-carboxy-4-methyl-2-pyrazin-2-yl-1,3-thiazole,5-thiazolecarboxylicacid, 4-methyl-2-2-pyrazinyl,5-thiazolecarboxylic acid, 4-methyl-2-2-pyrazinyl |
| IUPAC Name | 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid |
| InChI Key | XDZXQDHRHGIPRN-UHFFFAOYSA-N |
| Molecular Formula | C9H7N3O2S |
4-(2-Bromophenyl)-2-methyl-1,3-thiazole, 97%, Thermo Scientific™
CAS: 941717-01-7 Molecular Formula: C10H8BrNS Molecular Weight (g/mol): 254.15 MDL Number: MFCD09879981 InChI Key: SXJQVZDDCODIST-UHFFFAOYSA-N Synonym: 4-2-bromophenyl-2-methyl-1,3-thiazole,4-2-bromophenyl-2-methylthiazole PubChem CID: 24229764 IUPAC Name: 4-(2-bromophenyl)-2-methyl-1,3-thiazole SMILES: CC1=NC(=CS1)C1=CC=CC=C1Br
| PubChem CID | 24229764 |
|---|---|
| CAS | 941717-01-7 |
| Molecular Weight (g/mol) | 254.15 |
| MDL Number | MFCD09879981 |
| SMILES | CC1=NC(=CS1)C1=CC=CC=C1Br |
| Synonym | 4-2-bromophenyl-2-methyl-1,3-thiazole,4-2-bromophenyl-2-methylthiazole |
| IUPAC Name | 4-(2-bromophenyl)-2-methyl-1,3-thiazole |
| InChI Key | SXJQVZDDCODIST-UHFFFAOYSA-N |
| Molecular Formula | C10H8BrNS |
ethyle2-(2-methyl-1,3-thiazol-4-yl)acetate, 95%, Thermo Scientific™
CAS: 37128-24-8 Molecular Formula: C8H11NO2S Molecular Weight (g/mol): 185.241 MDL Number: MFCD00052519 InChI Key: DWSMURKWFWKPBT-UHFFFAOYSA-N Synonym: ethyl 2-2-methyl-1,3-thiazol-4-yl acetate,2-methyl-thiazol-4-yl-acetic acid ethyl ester,2-methylthiazole-4-acetic acid ethyl ester,ethyl 2-methyl-1,3-thiazol-4-yl acetate,ethyl 2-2-methylthiazol-4-yl acetate,4-thiazoleacetic acid,2-methyl-, ethyl ester,enamine_005349,ethyl=2-methylthiazol-4-ylacetate,2-methylthiazol-4-yl acetic acid ethyl ester,4-thiazoleacetic acid, 2-methyl-, ethyl ester PubChem CID: 854815 IUPAC Name: ethyl 2-(2-methyl-1,3-thiazol-4-yl)acetate SMILES: CCOC(=O)CC1=CSC(=N1)C
| PubChem CID | 854815 |
|---|---|
| CAS | 37128-24-8 |
| Molecular Weight (g/mol) | 185.241 |
| MDL Number | MFCD00052519 |
| SMILES | CCOC(=O)CC1=CSC(=N1)C |
| Synonym | ethyl 2-2-methyl-1,3-thiazol-4-yl acetate,2-methyl-thiazol-4-yl-acetic acid ethyl ester,2-methylthiazole-4-acetic acid ethyl ester,ethyl 2-methyl-1,3-thiazol-4-yl acetate,ethyl 2-2-methylthiazol-4-yl acetate,4-thiazoleacetic acid,2-methyl-, ethyl ester,enamine_005349,ethyl=2-methylthiazol-4-ylacetate,2-methylthiazol-4-yl acetic acid ethyl ester,4-thiazoleacetic acid, 2-methyl-, ethyl ester |
| IUPAC Name | ethyl 2-(2-methyl-1,3-thiazol-4-yl)acetate |
| InChI Key | DWSMURKWFWKPBT-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2S |
2-Phenyl-1,3-thiazole-4-carbonyl chloride, Thermo Scientific™
CAS: 36094-04-9 Molecular Formula: C10H6ClNOS Molecular Weight (g/mol): 223.674 InChI Key: ZZFOIDMEHXGBKS-UHFFFAOYSA-N Synonym: 2-phenylthiazole-4-carbonyl chloride,2-phenyl-thiazole-4-carbonyl chloride,4-thiazolecarbonylchloride, 2-phenyl PubChem CID: 2776472 IUPAC Name: 2-phenyl-1,3-thiazole-4-carbonyl chloride SMILES: C1=CC=C(C=C1)C2=NC(=CS2)C(=O)Cl
| PubChem CID | 2776472 |
|---|---|
| CAS | 36094-04-9 |
| Molecular Weight (g/mol) | 223.674 |
| SMILES | C1=CC=C(C=C1)C2=NC(=CS2)C(=O)Cl |
| Synonym | 2-phenylthiazole-4-carbonyl chloride,2-phenyl-thiazole-4-carbonyl chloride,4-thiazolecarbonylchloride, 2-phenyl |
| IUPAC Name | 2-phenyl-1,3-thiazole-4-carbonyl chloride |
| InChI Key | ZZFOIDMEHXGBKS-UHFFFAOYSA-N |
| Molecular Formula | C10H6ClNOS |
2,4-Dimethyl-1,3-thiazole-5-carboxylic acid, 97%, Thermo Scientific™
CAS: 53137-27-2 Molecular Formula: C6H7NO2S Molecular Weight (g/mol): 157.187 InChI Key: MQGBARXPCXAFRZ-UHFFFAOYSA-N Synonym: 2,4-dimethylthiazole-5-carboxylic acid,dimethyl-1,3-thiazole-5-carboxylic acid,5-thiazolecarboxylic acid, 2,4-dimethyl,2,4-dimethyl-5-thiazolecarboxylic acid,2,4-dimethyl-thiazole-5-carboxylic acid,2,4-dimethylthiazole-5-carboxylicacid,ksc269g8n,2,4-dimethylthiazol-5-carboxylic acid,2,4-dimethylthiazole-5carboxylic acid,2 4-dimethylthiazole-5-carboxylic acid PubChem CID: 736488 IUPAC Name: 2,4-dimethyl-1,3-thiazole-5-carboxylic acid SMILES: CC1=C(SC(=N1)C)C(=O)O
| PubChem CID | 736488 |
|---|---|
| CAS | 53137-27-2 |
| Molecular Weight (g/mol) | 157.187 |
| SMILES | CC1=C(SC(=N1)C)C(=O)O |
| Synonym | 2,4-dimethylthiazole-5-carboxylic acid,dimethyl-1,3-thiazole-5-carboxylic acid,5-thiazolecarboxylic acid, 2,4-dimethyl,2,4-dimethyl-5-thiazolecarboxylic acid,2,4-dimethyl-thiazole-5-carboxylic acid,2,4-dimethylthiazole-5-carboxylicacid,ksc269g8n,2,4-dimethylthiazol-5-carboxylic acid,2,4-dimethylthiazole-5carboxylic acid,2 4-dimethylthiazole-5-carboxylic acid |
| IUPAC Name | 2,4-dimethyl-1,3-thiazole-5-carboxylic acid |
| InChI Key | MQGBARXPCXAFRZ-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2S |
[3-(1H-Pyrrol-1-yl)phenyl]methanol, 97%, Thermo Scientific™
CAS: 83140-94-7 Molecular Formula: C11H11NO Molecular Weight (g/mol): 173.215 MDL Number: MFCD03086142 InChI Key: QQXDXYAGEXWXQU-UHFFFAOYSA-N Synonym: 3-1h-pyrrol-1-yl phenyl methanol,3-pyrrol-1-yl phenyl methanol,3-1-pyrrolyl benzyl alcohol,3-pyrrol-1-ylphenyl methanol,3-pyrrolylphenyl methan-1-ol,3-pyrrol-1-yl phenylmethanol,3-1h-pyrrol-1-yl phenylmethanol,benzenemethanol, 3-1h-pyrrol-1-yl PubChem CID: 2776531 IUPAC Name: (3-pyrrol-1-ylphenyl)methanol SMILES: C1=CN(C=C1)C2=CC=CC(=C2)CO
| PubChem CID | 2776531 |
|---|---|
| CAS | 83140-94-7 |
| Molecular Weight (g/mol) | 173.215 |
| MDL Number | MFCD03086142 |
| SMILES | C1=CN(C=C1)C2=CC=CC(=C2)CO |
| Synonym | 3-1h-pyrrol-1-yl phenyl methanol,3-pyrrol-1-yl phenyl methanol,3-1-pyrrolyl benzyl alcohol,3-pyrrol-1-ylphenyl methanol,3-pyrrolylphenyl methan-1-ol,3-pyrrol-1-yl phenylmethanol,3-1h-pyrrol-1-yl phenylmethanol,benzenemethanol, 3-1h-pyrrol-1-yl |
| IUPAC Name | (3-pyrrol-1-ylphenyl)methanol |
| InChI Key | QQXDXYAGEXWXQU-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO |
2-Bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one, Thermo Scientific™
CAS: 4629-54-3 Molecular Formula: C10H9BrO3 Molecular Weight (g/mol): 257.08 MDL Number: MFCD00099402 InChI Key: CSSHRKYOZTZFCX-UHFFFAOYSA-N Synonym: 2-bromo-1-2,3-dihydro-1,4-benzodioxin-6-yl ethanone,2-bromo-1-2,3-dihydro-1,4-benzodioxin-6-yl ethan-1-one,2-bromo-1-2,3-dihydrobenzo b 1,4 dioxin-6-yl ethanone,2-bromo-1-2,3-dihydrobenzo 1,4 dioxin-6-yl ethanone,2-bromo-1-2,3-dihydrobenzo 1,4-dioxin-6-yl ethanone,1,4-benzodioxan-6-ylbromomethyl ketone,2-bromo-1-2,3-dihydro-benzo 1,4 dioxin-6-yl-ethanone,ethanone,2-bromo-1-2,3-dihydro-1,4-benzodioxin-6-yl PubChem CID: 2776171 SMILES: BrCC(=O)C1=CC=C2OCCOC2=C1
| PubChem CID | 2776171 |
|---|---|
| CAS | 4629-54-3 |
| Molecular Weight (g/mol) | 257.08 |
| MDL Number | MFCD00099402 |
| SMILES | BrCC(=O)C1=CC=C2OCCOC2=C1 |
| Synonym | 2-bromo-1-2,3-dihydro-1,4-benzodioxin-6-yl ethanone,2-bromo-1-2,3-dihydro-1,4-benzodioxin-6-yl ethan-1-one,2-bromo-1-2,3-dihydrobenzo b 1,4 dioxin-6-yl ethanone,2-bromo-1-2,3-dihydrobenzo 1,4 dioxin-6-yl ethanone,2-bromo-1-2,3-dihydrobenzo 1,4-dioxin-6-yl ethanone,1,4-benzodioxan-6-ylbromomethyl ketone,2-bromo-1-2,3-dihydro-benzo 1,4 dioxin-6-yl-ethanone,ethanone,2-bromo-1-2,3-dihydro-1,4-benzodioxin-6-yl |
| InChI Key | CSSHRKYOZTZFCX-UHFFFAOYSA-N |
| Molecular Formula | C10H9BrO3 |
2-Ethynylthiophene, ≥90%, Thermo Scientific™
CAS: 4298-52-6 Molecular Formula: C6H4S Molecular Weight (g/mol): 108.16 MDL Number: MFCD03425129 InChI Key: LWISLHRIEATKTM-UHFFFAOYSA-N Synonym: 2-ethynyl-thiophene,2-thienylethine,2-thiophenylacetylene,2-thienyl acetylene,pubchem16123,thien-2-yl acetylene,thiophene, 2-ethynyl,thiophen-2-yl acetylene,2-ethynylthiophene,acmc-209js9 PubChem CID: 5246258 IUPAC Name: 2-ethynylthiophene SMILES: C#CC1=CC=CS1
| PubChem CID | 5246258 |
|---|---|
| CAS | 4298-52-6 |
| Molecular Weight (g/mol) | 108.16 |
| MDL Number | MFCD03425129 |
| SMILES | C#CC1=CC=CS1 |
| Synonym | 2-ethynyl-thiophene,2-thienylethine,2-thiophenylacetylene,2-thienyl acetylene,pubchem16123,thien-2-yl acetylene,thiophene, 2-ethynyl,thiophen-2-yl acetylene,2-ethynylthiophene,acmc-209js9 |
| IUPAC Name | 2-ethynylthiophene |
| InChI Key | LWISLHRIEATKTM-UHFFFAOYSA-N |
| Molecular Formula | C6H4S |
3-(1H-Pyrazol-1-yl)benzonitrile, ≥97%, Thermo Scientific™
CAS: 25699-82-5 Molecular Formula: C10H7N3 Molecular Weight (g/mol): 169.19 MDL Number: MFCD07772807 InChI Key: KLZKYUMVLIQOFX-UHFFFAOYSA-N PubChem CID: 7164581 SMILES: N#CC1=CC(=CC=C1)N1C=CC=N1
| PubChem CID | 7164581 |
|---|---|
| CAS | 25699-82-5 |
| Molecular Weight (g/mol) | 169.19 |
| MDL Number | MFCD07772807 |
| SMILES | N#CC1=CC(=CC=C1)N1C=CC=N1 |
| InChI Key | KLZKYUMVLIQOFX-UHFFFAOYSA-N |
| Molecular Formula | C10H7N3 |
3-(1-Methyl-1H-pyrazol-5-yl)benzonitrile, 97%, Thermo Scientific™
CAS: 179055-95-9 Molecular Formula: C11H9N3 Molecular Weight (g/mol): 183.21 MDL Number: MFCD09702401 InChI Key: NEFOVTAGRMOIIV-UHFFFAOYSA-N PubChem CID: 10511671 IUPAC Name: 3-(2-methylpyrazol-3-yl)benzonitrile SMILES: CN1N=CC=C1C1=CC=CC(=C1)C#N
| PubChem CID | 10511671 |
|---|---|
| CAS | 179055-95-9 |
| Molecular Weight (g/mol) | 183.21 |
| MDL Number | MFCD09702401 |
| SMILES | CN1N=CC=C1C1=CC=CC(=C1)C#N |
| IUPAC Name | 3-(2-methylpyrazol-3-yl)benzonitrile |
| InChI Key | NEFOVTAGRMOIIV-UHFFFAOYSA-N |
| Molecular Formula | C11H9N3 |
3-(1h-1,2,4-Triazol-1-yl)aniline, 90%, Thermo Scientific™
CAS: 176032-78-3 Molecular Formula: C8H8N4 Molecular Weight (g/mol): 160.18 InChI Key: QOHJDIAWBVPZFL-UHFFFAOYSA-N PubChem CID: 23503656 IUPAC Name: 3-(1,2,4-triazol-1-yl)aniline SMILES: C1=CC(=CC(=C1)N)N2C=NC=N2
| PubChem CID | 23503656 |
|---|---|
| CAS | 176032-78-3 |
| Molecular Weight (g/mol) | 160.18 |
| SMILES | C1=CC(=CC(=C1)N)N2C=NC=N2 |
| IUPAC Name | 3-(1,2,4-triazol-1-yl)aniline |
| InChI Key | QOHJDIAWBVPZFL-UHFFFAOYSA-N |
| Molecular Formula | C8H8N4 |
Benzo[b]furan-3-ylacetic acid, 97%, Thermo Scientific™
CAS: 64175-51-5 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.171 InChI Key: QWMVFCMIUUHJDH-UHFFFAOYSA-N Synonym: 2-benzofuran-3-yl acetic acid,3-benzofuranacetic acid,benzo b furan-3-ylacetic acid,2-1-benzofuran-3-yl acetic acid,benzofuran-3-yl-acetic acid,benzofuran-3-acetic acid,1-benzofuran-3-ylacetic acid,2-3-benzofuranyl acetic acid,pubchem7012,benzofuran-3-ylacetic acid PubChem CID: 2762940 IUPAC Name: 2-(1-benzofuran-3-yl)acetic acid SMILES: C1=CC=C2C(=C1)C(=CO2)CC(=O)O
| PubChem CID | 2762940 |
|---|---|
| CAS | 64175-51-5 |
| Molecular Weight (g/mol) | 176.171 |
| SMILES | C1=CC=C2C(=C1)C(=CO2)CC(=O)O |
| Synonym | 2-benzofuran-3-yl acetic acid,3-benzofuranacetic acid,benzo b furan-3-ylacetic acid,2-1-benzofuran-3-yl acetic acid,benzofuran-3-yl-acetic acid,benzofuran-3-acetic acid,1-benzofuran-3-ylacetic acid,2-3-benzofuranyl acetic acid,pubchem7012,benzofuran-3-ylacetic acid |
| IUPAC Name | 2-(1-benzofuran-3-yl)acetic acid |
| InChI Key | QWMVFCMIUUHJDH-UHFFFAOYSA-N |
| Molecular Formula | C10H8O3 |
Benzo[b]furan-7-carboxylic acid, Thermo Scientific™
CAS: 90484-22-3 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD10000617 InChI Key: QMHILIQFOBNARN-UHFFFAOYSA-N Synonym: benzofuran-7-carboxylic acid,benzofuran-7-carboxylicacid,7-benzofuranylcarboxylic acid,benzo b furan-7-carboxylic acid,7-benzofurancarboxylic acid,4ahs,7-benzofurancarboxylicacid,akh PubChem CID: 13307983 IUPAC Name: 1-benzofuran-7-carboxylic acid SMILES: OC(=O)C1=C2OC=CC2=CC=C1
| PubChem CID | 13307983 |
|---|---|
| CAS | 90484-22-3 |
| Molecular Weight (g/mol) | 162.14 |
| MDL Number | MFCD10000617 |
| SMILES | OC(=O)C1=C2OC=CC2=CC=C1 |
| Synonym | benzofuran-7-carboxylic acid,benzofuran-7-carboxylicacid,7-benzofuranylcarboxylic acid,benzo b furan-7-carboxylic acid,7-benzofurancarboxylic acid,4ahs,7-benzofurancarboxylicacid,akh |
| IUPAC Name | 1-benzofuran-7-carboxylic acid |
| InChI Key | QMHILIQFOBNARN-UHFFFAOYSA-N |
| Molecular Formula | C9H6O3 |