Organoheterocyclic compounds
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Pyrazinecarbonitrile, 99%
CAS: 19847-12-2 Molecular Formula: C5H3N3 Molecular Weight (g/mol): 105.10 MDL Number: MFCD00049361 InChI Key: PMSVVUSIPKHUMT-UHFFFAOYSA-N Synonym: pyrazinecarbonitrile,2-cyanopyrazine,cyanopyrazine,2-pyrazinecarbonitrile,pyrazinenitrile,pyrazinonitrile,2-cyanopyarine,2-cyano pyrazine PubChem CID: 73172 ChEBI: CHEBI:3982 IUPAC Name: pyrazine-2-carbonitrile SMILES: N#CC1=CN=CC=N1
| PubChem CID | 73172 |
|---|---|
| CAS | 19847-12-2 |
| Molecular Weight (g/mol) | 105.10 |
| ChEBI | CHEBI:3982 |
| MDL Number | MFCD00049361 |
| SMILES | N#CC1=CN=CC=N1 |
| Synonym | pyrazinecarbonitrile,2-cyanopyrazine,cyanopyrazine,2-pyrazinecarbonitrile,pyrazinenitrile,pyrazinonitrile,2-cyanopyarine,2-cyano pyrazine |
| IUPAC Name | pyrazine-2-carbonitrile |
| InChI Key | PMSVVUSIPKHUMT-UHFFFAOYSA-N |
| Molecular Formula | C5H3N3 |
Pyrazine, 99+% (dry wt.) water <1.0%
CAS: 290-37-9 Molecular Formula: C4H4N2 Molecular Weight (g/mol): 80.09 MDL Number: MFCD00006122 InChI Key: KYQCOXFCLRTKLS-UHFFFAOYSA-N Synonym: 1,4-diazine,p-diazine,paradiazine,piazine,1,4-diazabenzene,pyrazin,ccris 1331,1,4-diazin,mixture,mu-pyrazine; PubChem CID: 9261 ChEBI: CHEBI:30953 IUPAC Name: pyrazine SMILES: C1=CN=CC=N1
| PubChem CID | 9261 |
|---|---|
| CAS | 290-37-9 |
| Molecular Weight (g/mol) | 80.09 |
| ChEBI | CHEBI:30953 |
| MDL Number | MFCD00006122 |
| SMILES | C1=CN=CC=N1 |
| Synonym | 1,4-diazine,p-diazine,paradiazine,piazine,1,4-diazabenzene,pyrazin,ccris 1331,1,4-diazin,mixture,mu-pyrazine; |
| IUPAC Name | pyrazine |
| InChI Key | KYQCOXFCLRTKLS-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2 |
4-(5-Bromo-2-thienyl)-1,3-thiazol-2-amine, 97%, Thermo Scientific™
CAS: 34801-14-4 Molecular Formula: C7H5BrN2S2 Molecular Weight (g/mol): 261.155 MDL Number: MFCD01812622 InChI Key: MMZHPDCFNLBMBY-UHFFFAOYSA-N Synonym: 4-5-bromothiophen-2-yl thiazol-2-amine,4-5-bromothiophen-2-yl-1,3-thiazol-2-amine,4-5-bromothiophen-2-yl thiazol-2-ylamine,4-5-bromo-2-thienyl-1,3-thiazol-2-amine,4-5-bromo-thiophen-2-yl-thiazol-2-ylamine,2-amino-4-5-bromothien-2-yl thiazole,4-5-bromothien-2-yl-1,3-thiazol-2-amine,4-5-bromo-2-thienyl-1,3-thiazole-2-ylamine,2-thiazolamine, 4-5-bromo-2-thienyl,maybridge1_001930 PubChem CID: 725239 IUPAC Name: 4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine SMILES: C1=C(SC(=C1)Br)C2=CSC(=N2)N
| PubChem CID | 725239 |
|---|---|
| CAS | 34801-14-4 |
| Molecular Weight (g/mol) | 261.155 |
| MDL Number | MFCD01812622 |
| SMILES | C1=C(SC(=C1)Br)C2=CSC(=N2)N |
| Synonym | 4-5-bromothiophen-2-yl thiazol-2-amine,4-5-bromothiophen-2-yl-1,3-thiazol-2-amine,4-5-bromothiophen-2-yl thiazol-2-ylamine,4-5-bromo-2-thienyl-1,3-thiazol-2-amine,4-5-bromo-thiophen-2-yl-thiazol-2-ylamine,2-amino-4-5-bromothien-2-yl thiazole,4-5-bromothien-2-yl-1,3-thiazol-2-amine,4-5-bromo-2-thienyl-1,3-thiazole-2-ylamine,2-thiazolamine, 4-5-bromo-2-thienyl,maybridge1_001930 |
| IUPAC Name | 4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine |
| InChI Key | MMZHPDCFNLBMBY-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrN2S2 |
Benzo[b]thiophene, 98+%
CAS: 95-15-8 Molecular Formula: C8H6S Molecular Weight (g/mol): 134.196 MDL Number: MFCD00005864 InChI Key: FCEHBMOGCRZNNI-UHFFFAOYSA-N Synonym: benzo b thiophene,thianaphthene,benzothiophene,benzothiofuran,thionaphthene,1-thiaindene,thianaphthen,benzothiophen,thianaphtene,1-benzothiophen PubChem CID: 7221 ChEBI: CHEBI:35858 IUPAC Name: 1-benzothiophene SMILES: C1=CC=C2C(=C1)C=CS2
| PubChem CID | 7221 |
|---|---|
| CAS | 95-15-8 |
| Molecular Weight (g/mol) | 134.196 |
| ChEBI | CHEBI:35858 |
| MDL Number | MFCD00005864 |
| SMILES | C1=CC=C2C(=C1)C=CS2 |
| Synonym | benzo b thiophene,thianaphthene,benzothiophene,benzothiofuran,thionaphthene,1-thiaindene,thianaphthen,benzothiophen,thianaphtene,1-benzothiophen |
| IUPAC Name | 1-benzothiophene |
| InChI Key | FCEHBMOGCRZNNI-UHFFFAOYSA-N |
| Molecular Formula | C8H6S |
Phthalazine, 98%
CAS: 253-52-1 Molecular Formula: C8H6N2 Molecular Weight (g/mol): 130.15 MDL Number: MFCD00006908 InChI Key: LFSXCDWNBUNEEM-UHFFFAOYSA-N Synonym: 2,3-benzodiazine,benzo d pyridazine,2,3-diazanaphthalene,beta-phenodiazine,.beta.-phenodiazine,unii-91y28dm24n,ccris 6894,phthalazin,benzo-orthodiazine PubChem CID: 9207 ChEBI: CHEBI:36597 IUPAC Name: phthalazine SMILES: C1=CC=C2C=NN=CC2=C1
| PubChem CID | 9207 |
|---|---|
| CAS | 253-52-1 |
| Molecular Weight (g/mol) | 130.15 |
| ChEBI | CHEBI:36597 |
| MDL Number | MFCD00006908 |
| SMILES | C1=CC=C2C=NN=CC2=C1 |
| Synonym | 2,3-benzodiazine,benzo d pyridazine,2,3-diazanaphthalene,beta-phenodiazine,.beta.-phenodiazine,unii-91y28dm24n,ccris 6894,phthalazin,benzo-orthodiazine |
| IUPAC Name | phthalazine |
| InChI Key | LFSXCDWNBUNEEM-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2 |
1-Benzothiophene-5-carbonitrile, ≥95%, Thermo Scientific™
CAS: 2060-63-1 Molecular Formula: C9H5NS Molecular Weight (g/mol): 159.21 MDL Number: MFCD05664404 InChI Key: IPJUOWGTGHKFKN-UHFFFAOYSA-N Synonym: benzo b thiophene-5-carbonitrile,5-cyanobenzothiophene,pubchem9722,5-thionaphthenecarbonitrile,benzo thiophene-5-carbonitrile,benzo,a thiophene-5-carbonitrile,benzothiophene-5-carbonitrile,1-benzo b thiophene-5-carbonitrile PubChem CID: 2795452 IUPAC Name: 1-benzothiophene-5-carbonitrile SMILES: N#CC1=CC=C2SC=CC2=C1
| PubChem CID | 2795452 |
|---|---|
| CAS | 2060-63-1 |
| Molecular Weight (g/mol) | 159.21 |
| MDL Number | MFCD05664404 |
| SMILES | N#CC1=CC=C2SC=CC2=C1 |
| Synonym | benzo b thiophene-5-carbonitrile,5-cyanobenzothiophene,pubchem9722,5-thionaphthenecarbonitrile,benzo thiophene-5-carbonitrile,benzo,a thiophene-5-carbonitrile,benzothiophene-5-carbonitrile,1-benzo b thiophene-5-carbonitrile |
| IUPAC Name | 1-benzothiophene-5-carbonitrile |
| InChI Key | IPJUOWGTGHKFKN-UHFFFAOYSA-N |
| Molecular Formula | C9H5NS |
Benzothiazole, 97%
CAS: 95-16-9 Molecular Formula: C7H5NS Molecular Weight (g/mol): 135.18 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) | 135.18 |
| 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 |
2,2'-Biimidazole
CAS: 492-98-8 Molecular Formula: C6H6N4 Molecular Weight (g/mol): 134.14 MDL Number: MFCD00047014 InChI Key: AZUHIVLOSAPWDM-UHFFFAOYSA-N Synonym: 2,2 '-Bisimidazole; 2,2 '-Diimidazole IUPAC Name: 1H,1'H-2,2'-biimidazole SMILES: N1C=CN=C1C1=NC=CN1
| CAS | 492-98-8 |
|---|---|
| Molecular Weight (g/mol) | 134.14 |
| MDL Number | MFCD00047014 |
| SMILES | N1C=CN=C1C1=NC=CN1 |
| Synonym | 2,2 '-Bisimidazole; 2,2 '-Diimidazole |
| IUPAC Name | 1H,1'H-2,2'-biimidazole |
| InChI Key | AZUHIVLOSAPWDM-UHFFFAOYSA-N |
| Molecular Formula | C6H6N4 |
2-n-Hexylfuran, 97%
CAS: 3777-70-6 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.237 MDL Number: MFCD00053134 InChI Key: XBLCAKKYMZVLPU-UHFFFAOYSA-N Synonym: 2-n-hexylfuran,furan, 2-hexyl,2-hexyl-furan,acmc-1clja PubChem CID: 77408 IUPAC Name: 2-hexylfuran SMILES: CCCCCCC1=CC=CO1
| PubChem CID | 77408 |
|---|---|
| CAS | 3777-70-6 |
| Molecular Weight (g/mol) | 152.237 |
| MDL Number | MFCD00053134 |
| SMILES | CCCCCCC1=CC=CO1 |
| Synonym | 2-n-hexylfuran,furan, 2-hexyl,2-hexyl-furan,acmc-1clja |
| IUPAC Name | 2-hexylfuran |
| InChI Key | XBLCAKKYMZVLPU-UHFFFAOYSA-N |
| Molecular Formula | C10H16O |
2,4,6-Triphenyl-s-triazine, 98+%
CAS: 493-77-6 Molecular Formula: C21H15N3 Molecular Weight (g/mol): 309.37 MDL Number: MFCD00006051 InChI Key: HBQUOLGAXBYZGR-UHFFFAOYSA-N Synonym: cyaphenine,triphenyl-s-triazine,1,3,5-triazine, 2,4,6-triphenyl,2,4,6-triphenyl-s-triazine,kyaphenine,s-triphenyltriazine,2,4,6-triphenyltriazine,triphenyl-1,3,5-triazine,s-triazine, 2,4,6-triphenyl-8ci,s-triazine, 2,4,6-triphenyl PubChem CID: 10305 IUPAC Name: 2,4,6-triphenyl-1,3,5-triazine SMILES: C1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 10305 |
|---|---|
| CAS | 493-77-6 |
| Molecular Weight (g/mol) | 309.37 |
| MDL Number | MFCD00006051 |
| SMILES | C1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | cyaphenine,triphenyl-s-triazine,1,3,5-triazine, 2,4,6-triphenyl,2,4,6-triphenyl-s-triazine,kyaphenine,s-triphenyltriazine,2,4,6-triphenyltriazine,triphenyl-1,3,5-triazine,s-triazine, 2,4,6-triphenyl-8ci,s-triazine, 2,4,6-triphenyl |
| IUPAC Name | 2,4,6-triphenyl-1,3,5-triazine |
| InChI Key | HBQUOLGAXBYZGR-UHFFFAOYSA-N |
| Molecular Formula | C21H15N3 |
Isothiazole, 97%, Thermo Scientific Chemicals
CAS: 288-16-4 Molecular Formula: C3H3NS Molecular Weight (g/mol): 85.13 InChI Key: ZLTPDFXIESTBQG-UHFFFAOYSA-N Synonym: isothiazole,2-azathiophene,1,2-thiazol,isothiazole;1,2-thiazole,4-fluoro-3'-methylbenzophenone PubChem CID: 67515 ChEBI: CHEBI:35600 IUPAC Name: 1,2-thiazole SMILES: C1=CSN=C1
| PubChem CID | 67515 |
|---|---|
| CAS | 288-16-4 |
| Molecular Weight (g/mol) | 85.13 |
| ChEBI | CHEBI:35600 |
| SMILES | C1=CSN=C1 |
| Synonym | isothiazole,2-azathiophene,1,2-thiazol,isothiazole;1,2-thiazole,4-fluoro-3'-methylbenzophenone |
| IUPAC Name | 1,2-thiazole |
| InChI Key | ZLTPDFXIESTBQG-UHFFFAOYSA-N |
| Molecular Formula | C3H3NS |
2-Vinylpyridine, 97%, stab. with 0.1% 4-tert-butylcatechol
CAS: 100-69-6 Molecular Formula: C7H7N Molecular Weight (g/mol): 105.14 MDL Number: MFCD00006355 InChI Key: KGIGUEBEKRSTEW-UHFFFAOYSA-N Synonym: 2-vinylpyridine,pyridine, 2-ethenyl,pyridine, 2-vinyl,pyridine, ethenyl,vinylpyridine,2-vinyl pyridine,alpha-vinylpyridine,vinyl pyridine,unii-dt4uv4nnkx,ccris 5238 PubChem CID: 7521 IUPAC Name: 2-ethenylpyridine SMILES: C=CC1=CC=CC=N1
| PubChem CID | 7521 |
|---|---|
| CAS | 100-69-6 |
| Molecular Weight (g/mol) | 105.14 |
| MDL Number | MFCD00006355 |
| SMILES | C=CC1=CC=CC=N1 |
| Synonym | 2-vinylpyridine,pyridine, 2-ethenyl,pyridine, 2-vinyl,pyridine, ethenyl,vinylpyridine,2-vinyl pyridine,alpha-vinylpyridine,vinyl pyridine,unii-dt4uv4nnkx,ccris 5238 |
| IUPAC Name | 2-ethenylpyridine |
| InChI Key | KGIGUEBEKRSTEW-UHFFFAOYSA-N |
| Molecular Formula | C7H7N |
2-Thiopheneboronic acid, 97%
CAS: 6165-68-0 Molecular Formula: C4H5BO2S Molecular Weight (g/mol): 127.95 MDL Number: MFCD00151850 InChI Key: ARYHTUPFQTUBBG-UHFFFAOYSA-N Synonym: thiophene-2-boronic acid,2-thiopheneboronic acid,2-thienylboronic acid,thienylboronic acid,2-thiopheneboronicacid,thiophen-2-ylboranediol,thiophene2-boronic acid,thiophen-2-yl boronic acid,2-thiophenylboric acid,boronic acid, thienyl PubChem CID: 2733960 IUPAC Name: thiophen-2-ylboronic acid SMILES: OB(O)C1=CC=CS1
| PubChem CID | 2733960 |
|---|---|
| CAS | 6165-68-0 |
| Molecular Weight (g/mol) | 127.95 |
| MDL Number | MFCD00151850 |
| SMILES | OB(O)C1=CC=CS1 |
| Synonym | thiophene-2-boronic acid,2-thiopheneboronic acid,2-thienylboronic acid,thienylboronic acid,2-thiopheneboronicacid,thiophen-2-ylboranediol,thiophene2-boronic acid,thiophen-2-yl boronic acid,2-thiophenylboric acid,boronic acid, thienyl |
| IUPAC Name | thiophen-2-ylboronic acid |
| InChI Key | ARYHTUPFQTUBBG-UHFFFAOYSA-N |
| Molecular Formula | C4H5BO2S |
4-Ethylpyridine, 98%
CAS: 536-75-4 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.156 MDL Number: MFCD00006450 InChI Key: VJXRKZJMGVSXPX-UHFFFAOYSA-N Synonym: pyridine, 4-ethyl,.gamma.-ethylpyridine,4-ethyl pyridine,unii-3kw0se2tl5,4-ethyl-pyridine,pyridine, c1-3-alkyl derivs.,3kw0se2tl5,gamma-ethylpyridine,c1-c3 alkylpyridine,4ethylpyridine PubChem CID: 10822 IUPAC Name: 4-ethylpyridine SMILES: CCC1=CC=NC=C1
| PubChem CID | 10822 |
|---|---|
| CAS | 536-75-4 |
| Molecular Weight (g/mol) | 107.156 |
| MDL Number | MFCD00006450 |
| SMILES | CCC1=CC=NC=C1 |
| Synonym | pyridine, 4-ethyl,.gamma.-ethylpyridine,4-ethyl pyridine,unii-3kw0se2tl5,4-ethyl-pyridine,pyridine, c1-3-alkyl derivs.,3kw0se2tl5,gamma-ethylpyridine,c1-c3 alkylpyridine,4ethylpyridine |
| IUPAC Name | 4-ethylpyridine |
| InChI Key | VJXRKZJMGVSXPX-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
Benzimidazole, 98%
CAS: 51-17-2 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 MDL Number: MFCD00005585 InChI Key: HYZJCKYKOHLVJF-UHFFFAOYSA-N Synonym: benzimidazole,1h-benzo d imidazole,1,3-benzodiazole,benzoimidazole,o-benzimidazole,3-azaindole,benziminazole,benzoglyoxaline,azindole,1,3-diazaindene PubChem CID: 5798 ChEBI: CHEBI:41275 IUPAC Name: 1H-benzimidazole SMILES: N1C=NC2=CC=CC=C12
| PubChem CID | 5798 |
|---|---|
| CAS | 51-17-2 |
| Molecular Weight (g/mol) | 118.14 |
| ChEBI | CHEBI:41275 |
| MDL Number | MFCD00005585 |
| SMILES | N1C=NC2=CC=CC=C12 |
| Synonym | benzimidazole,1h-benzo d imidazole,1,3-benzodiazole,benzoimidazole,o-benzimidazole,3-azaindole,benziminazole,benzoglyoxaline,azindole,1,3-diazaindene |
| IUPAC Name | 1H-benzimidazole |
| InChI Key | HYZJCKYKOHLVJF-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2 |