Organoheterocyclic compounds
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Pyridazine, 98+%
CAS: 289-80-5 Molecular Formula: C4H4N2 Molecular Weight (g/mol): 80.09 MDL Number: MFCD00006463 InChI Key: PBMFSQRYOILNGV-UHFFFAOYSA-N Synonym: orthodiazine,1,2-diazine,o-diazine,1,2-diazabenzene,pyridazin,1,2-diazin,oizine,pyridazine,pubchem17789,acmc-209h5x PubChem CID: 9259 ChEBI: CHEBI:30954 IUPAC Name: pyridazine SMILES: C1=CC=NN=C1
| PubChem CID | 9259 |
|---|---|
| CAS | 289-80-5 |
| Molecular Weight (g/mol) | 80.09 |
| ChEBI | CHEBI:30954 |
| MDL Number | MFCD00006463 |
| SMILES | C1=CC=NN=C1 |
| Synonym | orthodiazine,1,2-diazine,o-diazine,1,2-diazabenzene,pyridazin,1,2-diazin,oizine,pyridazine,pubchem17789,acmc-209h5x |
| IUPAC Name | pyridazine |
| InChI Key | PBMFSQRYOILNGV-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2 |
3-Methylthiophene, 98+%
CAS: 616-44-4 Molecular Formula: C5H6S Molecular Weight (g/mol): 98.163 MDL Number: MFCD00005470 InChI Key: QENGPZGAWFQWCZ-UHFFFAOYSA-N Synonym: thiophene, 3-methyl,3-thiotolene,beta-methylthiophene,poly,p3mt,3-methyl thiophene,3-methyl-thiophene,methyl-3-thiophene,ccris 2937,thiophene, 3-methyl-, homopolymer PubChem CID: 12024 IUPAC Name: 3-methylthiophene SMILES: CC1=CSC=C1
| PubChem CID | 12024 |
|---|---|
| CAS | 616-44-4 |
| Molecular Weight (g/mol) | 98.163 |
| MDL Number | MFCD00005470 |
| SMILES | CC1=CSC=C1 |
| Synonym | thiophene, 3-methyl,3-thiotolene,beta-methylthiophene,poly,p3mt,3-methyl thiophene,3-methyl-thiophene,methyl-3-thiophene,ccris 2937,thiophene, 3-methyl-, homopolymer |
| IUPAC Name | 3-methylthiophene |
| InChI Key | QENGPZGAWFQWCZ-UHFFFAOYSA-N |
| Molecular Formula | C5H6S |
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 |
Trimethylene sulfide
CAS: 287-27-4 Molecular Formula: C3H6S Molecular Weight (g/mol): 74.14 MDL Number: MFCD00042751 InChI Key: XSROQCDVUIHRSI-UHFFFAOYSA-N IUPAC Name: thietane SMILES: C1CSC1
| CAS | 287-27-4 |
|---|---|
| Molecular Weight (g/mol) | 74.14 |
| MDL Number | MFCD00042751 |
| SMILES | C1CSC1 |
| IUPAC Name | thietane |
| InChI Key | XSROQCDVUIHRSI-UHFFFAOYSA-N |
| Molecular Formula | C3H6S |
Fluorouracil, USP, 98-102%, Spectrum™ Chemical
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CAS: 51-21-8 Molecular Formula: C4H3FN2O2 Molecular Weight (g/mol): 130.08 MDL Number: MFCD00006018 InChI Key: GHASVSINZRGABV-UHFFFAOYSA-N IUPAC Name: 5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione SMILES: FC1=CNC(=O)NC1=O
| CAS | 51-21-8 |
|---|---|
| Molecular Weight (g/mol) | 130.08 |
| MDL Number | MFCD00006018 |
| SMILES | FC1=CNC(=O)NC1=O |
| IUPAC Name | 5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| InChI Key | GHASVSINZRGABV-UHFFFAOYSA-N |
| Molecular Formula | C4H3FN2O2 |
2-(2-Pyridyl)benzimidazole, 98+%
CAS: 1137-68-4 Molecular Formula: C12H9N3 Molecular Weight (g/mol): 195.23 MDL Number: MFCD00005586 InChI Key: YNFBMDWHEHETJW-UHFFFAOYSA-N Synonym: 2-2-pyridyl benzimidazole,2-pyridin-2-yl-1h-benzo d imidazole,2-pyridin-2-yl-1h-benzoimidazole,2-pyridin-2-yl-1h-1,3-benzodiazole,2-pyridin-2-yl-1h-benzimidazole,chembl72683,1h-benzimidazole, 2-pyridinyl,1h-benzimidazole, 2-2-pyridinyl,acmc-20aime,2 2-pyridyl benzimidazole PubChem CID: 70821 IUPAC Name: 2-pyridin-2-yl-1H-benzimidazole SMILES: N1C2=CC=CC=C2N=C1C1=CC=CC=N1
| PubChem CID | 70821 |
|---|---|
| CAS | 1137-68-4 |
| Molecular Weight (g/mol) | 195.23 |
| MDL Number | MFCD00005586 |
| SMILES | N1C2=CC=CC=C2N=C1C1=CC=CC=N1 |
| Synonym | 2-2-pyridyl benzimidazole,2-pyridin-2-yl-1h-benzo d imidazole,2-pyridin-2-yl-1h-benzoimidazole,2-pyridin-2-yl-1h-1,3-benzodiazole,2-pyridin-2-yl-1h-benzimidazole,chembl72683,1h-benzimidazole, 2-pyridinyl,1h-benzimidazole, 2-2-pyridinyl,acmc-20aime,2 2-pyridyl benzimidazole |
| IUPAC Name | 2-pyridin-2-yl-1H-benzimidazole |
| InChI Key | YNFBMDWHEHETJW-UHFFFAOYSA-N |
| Molecular Formula | C12H9N3 |
Nitron, 95%, Thermo Scientific Chemicals
CAS: 2218-94-2 Molecular Formula: C20H16N4 Molecular Weight (g/mol): 312.376 MDL Number: MFCD00005174 InChI Key: CWGBFIRHYJNILV-UHFFFAOYSA-N Synonym: nitron,unii-90im4z883z,1,4-diphenyl-endoanilino-dihydrotriazole,1,4-diphenyl-3-phenylamino-1h-1,2,4-triazolium inner salt,1h-1,2,4-triazolium, 1,4-diphenyl-3-phenylamino-, hydroxide, inner salt,1,4-diphenyl-3-phenylazamethylene-1,2,4-triazoline,1,4-diphenyl-3-phenylamino-1,2,4-triazolium hydroxide inner salt,4h-1,2,4-triazolium, 1,4-diphenyl-3-phenylamino-, inner salt,4,5-dihydro-2,4-diphenyl-5-phenylimino-1h-1,2,4-triazolium inner salt PubChem CID: 720071 IUPAC Name: (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenylazanide SMILES: C1=CC=C(C=C1)[N-]C2=NN(C=[N+]2C3=CC=CC=C3)C4=CC=CC=C4
| PubChem CID | 720071 |
|---|---|
| CAS | 2218-94-2 |
| Molecular Weight (g/mol) | 312.376 |
| MDL Number | MFCD00005174 |
| SMILES | C1=CC=C(C=C1)[N-]C2=NN(C=[N+]2C3=CC=CC=C3)C4=CC=CC=C4 |
| Synonym | nitron,unii-90im4z883z,1,4-diphenyl-endoanilino-dihydrotriazole,1,4-diphenyl-3-phenylamino-1h-1,2,4-triazolium inner salt,1h-1,2,4-triazolium, 1,4-diphenyl-3-phenylamino-, hydroxide, inner salt,1,4-diphenyl-3-phenylazamethylene-1,2,4-triazoline,1,4-diphenyl-3-phenylamino-1,2,4-triazolium hydroxide inner salt,4h-1,2,4-triazolium, 1,4-diphenyl-3-phenylamino-, inner salt,4,5-dihydro-2,4-diphenyl-5-phenylimino-1h-1,2,4-triazolium inner salt |
| IUPAC Name | (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenylazanide |
| InChI Key | CWGBFIRHYJNILV-UHFFFAOYSA-N |
| Molecular Formula | C20H16N4 |
3(5)-Phenyl-1H-pyrazole, 99+%
CAS: 2458-26-6 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.18 MDL Number: MFCD00159654 InChI Key: OEDUIFSDODUDRK-UHFFFAOYSA-N Synonym: 3-phenyl-1h-pyrazole,3-phenylpyrazole,1h-pyrazole, 3-phenyl,pyrazole, 3-phenyl,3-benzylpyrazole,3-phenylpyrazol,phenylpyrazole,3-phenyl-2h-pyrazole,chembl38876,5-phenylpyrazole PubChem CID: 17155 IUPAC Name: 5-phenyl-1H-pyrazole SMILES: N1N=CC=C1C1=CC=CC=C1
| PubChem CID | 17155 |
|---|---|
| CAS | 2458-26-6 |
| Molecular Weight (g/mol) | 144.18 |
| MDL Number | MFCD00159654 |
| SMILES | N1N=CC=C1C1=CC=CC=C1 |
| Synonym | 3-phenyl-1h-pyrazole,3-phenylpyrazole,1h-pyrazole, 3-phenyl,pyrazole, 3-phenyl,3-benzylpyrazole,3-phenylpyrazol,phenylpyrazole,3-phenyl-2h-pyrazole,chembl38876,5-phenylpyrazole |
| IUPAC Name | 5-phenyl-1H-pyrazole |
| InChI Key | OEDUIFSDODUDRK-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2 |
2-Hydrazinobenzothiazole, 97%
CAS: 615-21-4 Molecular Formula: C7H7N3S Molecular Weight (g/mol): 165.214 MDL Number: MFCD00041849 InChI Key: JYSUYJCLUODSLN-UHFFFAOYSA-N Synonym: 2-hydrazinobenzothiazole,2-hydrazinylbenzo d thiazole,2-hydrazino-1,3-benzothiazole,benzothiazolohydrazine,2 3h-benzothiazolone, hydrazone,benzothiazol-2-ylhydrazine,benzothiazole, 2-hydrazino,2-benzothiazolylhydrazine,usaf ek-3967,benzothiazol-2-yl-hydrazine PubChem CID: 11988 IUPAC Name: 1,3-benzothiazol-2-ylhydrazine SMILES: C1=CC=C2C(=C1)N=C(S2)NN
| PubChem CID | 11988 |
|---|---|
| CAS | 615-21-4 |
| Molecular Weight (g/mol) | 165.214 |
| MDL Number | MFCD00041849 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)NN |
| Synonym | 2-hydrazinobenzothiazole,2-hydrazinylbenzo d thiazole,2-hydrazino-1,3-benzothiazole,benzothiazolohydrazine,2 3h-benzothiazolone, hydrazone,benzothiazol-2-ylhydrazine,benzothiazole, 2-hydrazino,2-benzothiazolylhydrazine,usaf ek-3967,benzothiazol-2-yl-hydrazine |
| IUPAC Name | 1,3-benzothiazol-2-ylhydrazine |
| InChI Key | JYSUYJCLUODSLN-UHFFFAOYSA-N |
| Molecular Formula | C7H7N3S |
1H-Pyrazole-3,5-dicarboxylic acid monohydrate, 98%
CAS: 303180-11-2 Molecular Formula: C5H6N2O5 Molecular Weight (g/mol): 174.112 MDL Number: MFCD00149323 InChI Key: GLINCONFUZIMCN-UHFFFAOYSA-N Synonym: 1h-pyrazole-3,5-dicarboxylic acid hydrate,3,5-pyrazoledicarboxylic acid monohydrate,1h-pyrazole-3,5-dicarboxylic acid monohydrate,pyrazole-3,5-dicarboxylic acid, hydrate,acmc-1aezk,3,5-pyrazoledicarboxylic acid hydrate,1h-pyrazole-3,5-dicarboxylicacidmonohydrate,1h-pyrazole-3,5-dicarboxylic acid; hydrate,1h-pyrazole-3,5-dicarboxylic acid hydrate 1:1 PubChem CID: 2723723 IUPAC Name: 1H-pyrazole-3,5-dicarboxylic acid;hydrate SMILES: C1=C(NN=C1C(=O)O)C(=O)O.O
| PubChem CID | 2723723 |
|---|---|
| CAS | 303180-11-2 |
| Molecular Weight (g/mol) | 174.112 |
| MDL Number | MFCD00149323 |
| SMILES | C1=C(NN=C1C(=O)O)C(=O)O.O |
| Synonym | 1h-pyrazole-3,5-dicarboxylic acid hydrate,3,5-pyrazoledicarboxylic acid monohydrate,1h-pyrazole-3,5-dicarboxylic acid monohydrate,pyrazole-3,5-dicarboxylic acid, hydrate,acmc-1aezk,3,5-pyrazoledicarboxylic acid hydrate,1h-pyrazole-3,5-dicarboxylicacidmonohydrate,1h-pyrazole-3,5-dicarboxylic acid; hydrate,1h-pyrazole-3,5-dicarboxylic acid hydrate 1:1 |
| IUPAC Name | 1H-pyrazole-3,5-dicarboxylic acid;hydrate |
| InChI Key | GLINCONFUZIMCN-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O5 |
5-Methylquinoxaline, 98%
CAS: 13708-12-8 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.177 MDL Number: MFCD00012335 InChI Key: CQLOYHZZZCWHSG-UHFFFAOYSA-N Synonym: quinoxaline, 5-methyl,unii-l0ad7t152g,5-methyl quinoxaline,fema no. 3203,8-methylquinoxaline,5-methyl-quinoxaline,acmc-209caq,5-methylquinoxaline,dsstox_cid_27090 PubChem CID: 61670 IUPAC Name: 5-methylquinoxaline SMILES: CC1=C2C(=CC=C1)N=CC=N2
| PubChem CID | 61670 |
|---|---|
| CAS | 13708-12-8 |
| Molecular Weight (g/mol) | 144.177 |
| MDL Number | MFCD00012335 |
| SMILES | CC1=C2C(=CC=C1)N=CC=N2 |
| Synonym | quinoxaline, 5-methyl,unii-l0ad7t152g,5-methyl quinoxaline,fema no. 3203,8-methylquinoxaline,5-methyl-quinoxaline,acmc-209caq,5-methylquinoxaline,dsstox_cid_27090 |
| IUPAC Name | 5-methylquinoxaline |
| InChI Key | CQLOYHZZZCWHSG-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2 |
2-sec-Butylthiazole, 98+%
CAS: 18277-27-5 Molecular Formula: C7H11NS Molecular Weight (g/mol): 141.23 MDL Number: MFCD00051951 InChI Key: MHJSWOZJMPIGJQ-UHFFFAOYNA-N Synonym: 2-sec-butylthiazole,2-sec-butyl thiazole,2-1-methylpropyl thiazole,2-1-methylpropyl-thiazole,thiazole, 2-1-methylpropyl,2-butan-2-yl-1,3-thiazole,thiazole, 2-sec-butyl,fema no. 3372,2-s-butylthiazole PubChem CID: 519539 IUPAC Name: 2-butan-2-yl-1,3-thiazole SMILES: CCC(C)C1=NC=CS1
| PubChem CID | 519539 |
|---|---|
| CAS | 18277-27-5 |
| Molecular Weight (g/mol) | 141.23 |
| MDL Number | MFCD00051951 |
| SMILES | CCC(C)C1=NC=CS1 |
| Synonym | 2-sec-butylthiazole,2-sec-butyl thiazole,2-1-methylpropyl thiazole,2-1-methylpropyl-thiazole,thiazole, 2-1-methylpropyl,2-butan-2-yl-1,3-thiazole,thiazole, 2-sec-butyl,fema no. 3372,2-s-butylthiazole |
| IUPAC Name | 2-butan-2-yl-1,3-thiazole |
| InChI Key | MHJSWOZJMPIGJQ-UHFFFAOYNA-N |
| Molecular Formula | C7H11NS |
2-(Hexamethyleneimino)ethyl chloride hydrochloride, 98%, Thermo Scientific Chemicals
CAS: 26487-67-2 Molecular Formula: C8H17Cl2N Molecular Weight (g/mol): 198.131 MDL Number: MFCD00012842 InChI Key: ZQDSOUPBYJIPNM-UHFFFAOYSA-N Synonym: 1-2-chloroethyl azepane hydrochloride,2-hexamethyleneimino ethyl chloride hydrochloride,1h-azepine, hydrochloride,2-chloroethylhexamethylenemine hydrochloride,1-2-chloroethyl hexamethyleneimine hydrochloride,2-chloroethyl hexamethylene imine hydrochloride,2-chloroethyl azaperhydroepine, chloride,pubchem21389,1-2-chloroethyl azepane hcl,wln: t7ntj a2g &gh PubChem CID: 24188283 IUPAC Name: 1-(2-chloroethyl)azepane;hydrochloride SMILES: C1CCCN(CC1)CCCl.Cl
| PubChem CID | 24188283 |
|---|---|
| CAS | 26487-67-2 |
| Molecular Weight (g/mol) | 198.131 |
| MDL Number | MFCD00012842 |
| SMILES | C1CCCN(CC1)CCCl.Cl |
| Synonym | 1-2-chloroethyl azepane hydrochloride,2-hexamethyleneimino ethyl chloride hydrochloride,1h-azepine, hydrochloride,2-chloroethylhexamethylenemine hydrochloride,1-2-chloroethyl hexamethyleneimine hydrochloride,2-chloroethyl hexamethylene imine hydrochloride,2-chloroethyl azaperhydroepine, chloride,pubchem21389,1-2-chloroethyl azepane hcl,wln: t7ntj a2g &gh |
| IUPAC Name | 1-(2-chloroethyl)azepane;hydrochloride |
| InChI Key | ZQDSOUPBYJIPNM-UHFFFAOYSA-N |
| Molecular Formula | C8H17Cl2N |
Hydralazine Hydrochloride, USP, 98-102%, Spectrum™ Chemical
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CAS: 304-20-1 Molecular Formula: C8H9ClN4 Molecular Weight (g/mol): 196.64 InChI Key: ZUXNZUWOTSUBMN-UHFFFAOYSA-N IUPAC Name: hydrogen 1-hydrazinylphthalazine chloride SMILES: [H+].[Cl-].NNC1=C2C=CC=CC2=CN=N1
| CAS | 304-20-1 |
|---|---|
| Molecular Weight (g/mol) | 196.64 |
| SMILES | [H+].[Cl-].NNC1=C2C=CC=CC2=CN=N1 |
| IUPAC Name | hydrogen 1-hydrazinylphthalazine chloride |
| InChI Key | ZUXNZUWOTSUBMN-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClN4 |
Hydralazine Hydrochloride, 99%, Spectrum™ Chemical
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CAS: 304-20-1 Molecular Formula: C8H9ClN4 Molecular Weight (g/mol): 196.64 InChI Key: ZUXNZUWOTSUBMN-UHFFFAOYSA-N IUPAC Name: hydrogen 1-hydrazinylphthalazine chloride SMILES: [H+].[Cl-].NNC1=C2C=CC=CC2=CN=N1
| CAS | 304-20-1 |
|---|---|
| Molecular Weight (g/mol) | 196.64 |
| SMILES | [H+].[Cl-].NNC1=C2C=CC=CC2=CN=N1 |
| IUPAC Name | hydrogen 1-hydrazinylphthalazine chloride |
| InChI Key | ZUXNZUWOTSUBMN-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClN4 |