Organoheterocyclic compounds
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2,4,6-Tris(2-pyridyl)-s-triazine, For Spectrophotometric Det. of Fe, 99.0% (HPLC), MilliporeSigma™ Supelco™
CAS: 3682-35-7 Molecular Formula: C18H12N6 Molecular Weight (g/mol): 312.34 MDL Number: MFCD00006045 InChI Key: KMVWNDHKTPHDMT-UHFFFAOYSA-N Synonym: 2,4,6-Tri(2-pyridyl)-s-triazine; TPTZ IUPAC Name: tris(pyridin-2-yl)-1,3,5-triazine SMILES: C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1
| CAS | 3682-35-7 |
|---|---|
| Molecular Weight (g/mol) | 312.34 |
| MDL Number | MFCD00006045 |
| SMILES | C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1 |
| Synonym | 2,4,6-Tri(2-pyridyl)-s-triazine; TPTZ |
| IUPAC Name | tris(pyridin-2-yl)-1,3,5-triazine |
| InChI Key | KMVWNDHKTPHDMT-UHFFFAOYSA-N |
| Molecular Formula | C18H12N6 |
4-(thien-2-ylmethyl)aniline, Thermo Scientific™
CAS: 129136-65-8 Molecular Formula: C11H11NS Molecular Weight (g/mol): 189.276 InChI Key: PIJZLXNJWCKMSA-UHFFFAOYSA-N Synonym: 4-thien-2-ylmethyl aniline,4-thiophen-2-ylmethyl aniline,4-thiophen-2-yl methyl aniline,4-2-thienylmethyl phenylamine PubChem CID: 20063869 IUPAC Name: 4-(thiophen-2-ylmethyl)aniline SMILES: C1=CSC(=C1)CC2=CC=C(C=C2)N
| PubChem CID | 20063869 |
|---|---|
| CAS | 129136-65-8 |
| Molecular Weight (g/mol) | 189.276 |
| SMILES | C1=CSC(=C1)CC2=CC=C(C=C2)N |
| Synonym | 4-thien-2-ylmethyl aniline,4-thiophen-2-ylmethyl aniline,4-thiophen-2-yl methyl aniline,4-2-thienylmethyl phenylamine |
| IUPAC Name | 4-(thiophen-2-ylmethyl)aniline |
| InChI Key | PIJZLXNJWCKMSA-UHFFFAOYSA-N |
| Molecular Formula | C11H11NS |
6-Methylquinoline, 98%
CAS: 91-62-3 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.19 MDL Number: MFCD00006804 InChI Key: LUYISICIYVKBTA-UHFFFAOYSA-N Synonym: quinoline, 6-methyl,p-toluquinoline,6-methyl-quinoline,tolliquinoline, p,ccris 407,fema no. 2744,quinoline, 6-methyl-8ci,9ci,dsstox_cid_887,dsstox_rid_75844,dsstox_gsid_20887 PubChem CID: 7059 IUPAC Name: 6-methylquinoline SMILES: CC1=CC=C2N=CC=CC2=C1
| PubChem CID | 7059 |
|---|---|
| CAS | 91-62-3 |
| Molecular Weight (g/mol) | 143.19 |
| MDL Number | MFCD00006804 |
| SMILES | CC1=CC=C2N=CC=CC2=C1 |
| Synonym | quinoline, 6-methyl,p-toluquinoline,6-methyl-quinoline,tolliquinoline, p,ccris 407,fema no. 2744,quinoline, 6-methyl-8ci,9ci,dsstox_cid_887,dsstox_rid_75844,dsstox_gsid_20887 |
| IUPAC Name | 6-methylquinoline |
| InChI Key | LUYISICIYVKBTA-UHFFFAOYSA-N |
| Molecular Formula | C10H9N |
2-Mercaptobenzothiazole, Spectrum™ Chemical
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CAS: 149-30-4
| CAS | 149-30-4 |
|---|
1-Benzothiophen-5-amine, 97%, Thermo Scientific™
CAS: 20532-28-9 Molecular Formula: C8H7NS Molecular Weight (g/mol): 149.211 InChI Key: ZUPYTANKWDPRDP-UHFFFAOYSA-N Synonym: benzo b thiophen-5-amine,5-aminobenzothiophene,5-aminobenzo b thiophene,benzo b thiophen-5-ylamine,5-aminothionaphthene,benzothiophen-5-amine,1-benzothien-5-ylamine,5-amino-benzo b thiophene,benzo b thiophene-5-ylamine PubChem CID: 288032 IUPAC Name: 1-benzothiophen-5-amine SMILES: C1=CC2=C(C=CS2)C=C1N
| PubChem CID | 288032 |
|---|---|
| CAS | 20532-28-9 |
| Molecular Weight (g/mol) | 149.211 |
| SMILES | C1=CC2=C(C=CS2)C=C1N |
| Synonym | benzo b thiophen-5-amine,5-aminobenzothiophene,5-aminobenzo b thiophene,benzo b thiophen-5-ylamine,5-aminothionaphthene,benzothiophen-5-amine,1-benzothien-5-ylamine,5-amino-benzo b thiophene,benzo b thiophene-5-ylamine |
| IUPAC Name | 1-benzothiophen-5-amine |
| InChI Key | ZUPYTANKWDPRDP-UHFFFAOYSA-N |
| Molecular Formula | C8H7NS |
Phenazine, 99.2%, MP Biomedicals™
CAS: 92-82-0 Molecular Formula: C12H8N2 Molecular Weight (g/mol): 180.21 InChI Key: PCNDJXKNXGMECE-UHFFFAOYSA-N Synonym: dibenzopyrazine,azophenylene,dibenzoparadiazine,acridizine,9,10-diazaanthracene,dibenzo-p-diazine,unii-2jhr6k463w,phenazine,dibenzo b,e pyrazine,acmc-209rhs PubChem CID: 4757 ChEBI: CHEBI:36674 IUPAC Name: phenazine SMILES: C1=CC=C2C(=C1)N=C3C=CC=CC3=N2
| PubChem CID | 4757 |
|---|---|
| CAS | 92-82-0 |
| Molecular Weight (g/mol) | 180.21 |
| ChEBI | CHEBI:36674 |
| SMILES | C1=CC=C2C(=C1)N=C3C=CC=CC3=N2 |
| Synonym | dibenzopyrazine,azophenylene,dibenzoparadiazine,acridizine,9,10-diazaanthracene,dibenzo-p-diazine,unii-2jhr6k463w,phenazine,dibenzo b,e pyrazine,acmc-209rhs |
| IUPAC Name | phenazine |
| InChI Key | PCNDJXKNXGMECE-UHFFFAOYSA-N |
| Molecular Formula | C12H8N2 |
Phenazine, 98%
CAS: 92-82-0 Molecular Formula: C12H8N2 Molecular Weight (g/mol): 180.21 MDL Number: MFCD00005023 InChI Key: PCNDJXKNXGMECE-UHFFFAOYSA-N Synonym: dibenzopyrazine,azophenylene,dibenzoparadiazine,acridizine,9,10-diazaanthracene,dibenzo-p-diazine,unii-2jhr6k463w,phenazine,dibenzo b,e pyrazine,acmc-209rhs PubChem CID: 4757 ChEBI: CHEBI:36674 IUPAC Name: phenazine SMILES: C1=CC=C2C(=C1)N=C3C=CC=CC3=N2
| PubChem CID | 4757 |
|---|---|
| CAS | 92-82-0 |
| Molecular Weight (g/mol) | 180.21 |
| ChEBI | CHEBI:36674 |
| MDL Number | MFCD00005023 |
| SMILES | C1=CC=C2C(=C1)N=C3C=CC=CC3=N2 |
| Synonym | dibenzopyrazine,azophenylene,dibenzoparadiazine,acridizine,9,10-diazaanthracene,dibenzo-p-diazine,unii-2jhr6k463w,phenazine,dibenzo b,e pyrazine,acmc-209rhs |
| IUPAC Name | phenazine |
| InChI Key | PCNDJXKNXGMECE-UHFFFAOYSA-N |
| Molecular Formula | C12H8N2 |
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 |
Pyridinium p-toluenesulfonate, 98%
CAS: 24057-28-1 Molecular Formula: C12H13NO3S Molecular Weight (g/mol): 251.3 MDL Number: MFCD00013108 Synonym: pyridinium p-toluenesulfonate,ppts,pyridin-1-ium 4-methylbenzenesulfonate,pyridinium 4-toluenesulfonate,pyridinium tosylate,pyridinium 4-methylbenzenesulfonate,pyridinium p-toluene sulfonate,pyridinium p-toluene sulphonate,pyridinium para-toluenesulfonate,4-toluenesulfonic acid pyridine salt
| CAS | 24057-28-1 |
|---|---|
| Molecular Weight (g/mol) | 251.3 |
| MDL Number | MFCD00013108 |
| Synonym | pyridinium p-toluenesulfonate,ppts,pyridin-1-ium 4-methylbenzenesulfonate,pyridinium 4-toluenesulfonate,pyridinium tosylate,pyridinium 4-methylbenzenesulfonate,pyridinium p-toluene sulfonate,pyridinium p-toluene sulphonate,pyridinium para-toluenesulfonate,4-toluenesulfonic acid pyridine salt |
| Molecular Formula | C12H13NO3S |
5-(2-Methylphenyl)-1H-tetrazole, 99%
CAS: 51449-86-6 Molecular Formula: C8H8N4 Molecular Weight (g/mol): 160.18 MDL Number: MFCD03093095 InChI Key: MTBUOESFHRORQT-UHFFFAOYSA-N Synonym: 5-2-methylphenyl-1h-tetrazole,5-o-tolyl-1h-tetrazole,5-o-tolyl-2h-tetrazole,5-2-methylphenyl-2h-tetrazole,5-2-methylphenyl tetrazole,5-2-methylphenyl-2h-1,2,3,4-tetrazole,2h-tetrazole,5-2-methylphenyl,5-2-methylphenyl-1h-1,2,3,4-tetrazole,2-methylphenyltetrazole,5-o-tolyl tetrazole PubChem CID: 583067 IUPAC Name: 5-(2-methylphenyl)-2H-tetrazole SMILES: CC1=CC=CC=C1C2=NNN=N2
| PubChem CID | 583067 |
|---|---|
| CAS | 51449-86-6 |
| Molecular Weight (g/mol) | 160.18 |
| MDL Number | MFCD03093095 |
| SMILES | CC1=CC=CC=C1C2=NNN=N2 |
| Synonym | 5-2-methylphenyl-1h-tetrazole,5-o-tolyl-1h-tetrazole,5-o-tolyl-2h-tetrazole,5-2-methylphenyl-2h-tetrazole,5-2-methylphenyl tetrazole,5-2-methylphenyl-2h-1,2,3,4-tetrazole,2h-tetrazole,5-2-methylphenyl,5-2-methylphenyl-1h-1,2,3,4-tetrazole,2-methylphenyltetrazole,5-o-tolyl tetrazole |
| IUPAC Name | 5-(2-methylphenyl)-2H-tetrazole |
| InChI Key | MTBUOESFHRORQT-UHFFFAOYSA-N |
| Molecular Formula | C8H8N4 |
8-Oxa-3-azabicyclo[3.2.1]octane hydrochloride, 97%
CAS: 54745-74-3 Molecular Formula: C6H12ClNO Molecular Weight (g/mol): 149.62 MDL Number: MFCD17926456,MFCD09800611 InChI Key: XADOTNAXKKFKDY-UHFFFAOYNA-N Synonym: 8-oxa-3-azabicyclo 3.2.1 octane hydrochloride,8-oxa-3-azabicyclo 3,2,1 octane hydrochloride,8-oxa-3-azabicyclo 3.2.1 octane hcl,8-oxa-3-azabicyclo 3.2.1 octanehydrochloride,8-oxa-3-azabicyclo 3.2.1 octane, hydrochloride,8-oxa-3-aza-bicyclo 3.2.1 octane hydrochloride,8-oxa-3-azabicyclooctane hydrochloride,8-oxa-3-azabicyclo 3.2.1 octane-hcl,8-oxa-3-aza-bicyclo 3.2.1 octane hcl PubChem CID: 21983536 SMILES: Cl.C1CC2CNCC1O2
| PubChem CID | 21983536 |
|---|---|
| CAS | 54745-74-3 |
| Molecular Weight (g/mol) | 149.62 |
| MDL Number | MFCD17926456,MFCD09800611 |
| SMILES | Cl.C1CC2CNCC1O2 |
| Synonym | 8-oxa-3-azabicyclo 3.2.1 octane hydrochloride,8-oxa-3-azabicyclo 3,2,1 octane hydrochloride,8-oxa-3-azabicyclo 3.2.1 octane hcl,8-oxa-3-azabicyclo 3.2.1 octanehydrochloride,8-oxa-3-azabicyclo 3.2.1 octane, hydrochloride,8-oxa-3-aza-bicyclo 3.2.1 octane hydrochloride,8-oxa-3-azabicyclooctane hydrochloride,8-oxa-3-azabicyclo 3.2.1 octane-hcl,8-oxa-3-aza-bicyclo 3.2.1 octane hcl |
| InChI Key | XADOTNAXKKFKDY-UHFFFAOYNA-N |
| Molecular Formula | C6H12ClNO |
Azelastine hydrochloride
CAS: 79307-93-0 Molecular Formula: C22H25Cl2N3O Molecular Weight (g/mol): 418.36 MDL Number: MFCD00242783 InChI Key: YEJAJYAHJQIWNU-UHFFFAOYNA-N IUPAC Name: hydrogen 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-1,2-dihydrophthalazin-1-one chloride SMILES: [H+].[Cl-].CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O
| CAS | 79307-93-0 |
|---|---|
| Molecular Weight (g/mol) | 418.36 |
| MDL Number | MFCD00242783 |
| SMILES | [H+].[Cl-].CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O |
| IUPAC Name | hydrogen 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-1,2-dihydrophthalazin-1-one chloride |
| InChI Key | YEJAJYAHJQIWNU-UHFFFAOYNA-N |
| Molecular Formula | C22H25Cl2N3O |
N-BOC-Hexahydro-1H-azepin-4-one, 97%
CAS: 188975-88-4 Molecular Formula: C11H19NO3 Molecular Weight (g/mol): 213.28 MDL Number: MFCD03788435 InChI Key: PMLBUVZPRKXMOX-UHFFFAOYSA-N Synonym: n-boc-hexahydro-1h-azepin-4-one,1-boc-hexahydro-1h-azepin-4-one,4-oxoazepane-1-carboxylic acid tert-butyl ester,1-boc-homopiperazin-4-one,1-boc-4-azepanone,n-boc-hexahydro-1h-azepine-4-one,tert-butyl hexahydro-4-oxo-1h-azepine-1-carboxylate,1-tert-butoxycarbonyl-4-oxoazepane,4-oxo-azepane-1-carboxylic acid tert-butyl ester,1,1-dimethylethyl 4-oxohexahydro-1h-azepine-1-carboxylate PubChem CID: 1512679 IUPAC Name: tert-butyl 4-oxoazepane-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCCC(=O)CC1
| PubChem CID | 1512679 |
|---|---|
| CAS | 188975-88-4 |
| Molecular Weight (g/mol) | 213.28 |
| MDL Number | MFCD03788435 |
| SMILES | CC(C)(C)OC(=O)N1CCCC(=O)CC1 |
| Synonym | n-boc-hexahydro-1h-azepin-4-one,1-boc-hexahydro-1h-azepin-4-one,4-oxoazepane-1-carboxylic acid tert-butyl ester,1-boc-homopiperazin-4-one,1-boc-4-azepanone,n-boc-hexahydro-1h-azepine-4-one,tert-butyl hexahydro-4-oxo-1h-azepine-1-carboxylate,1-tert-butoxycarbonyl-4-oxoazepane,4-oxo-azepane-1-carboxylic acid tert-butyl ester,1,1-dimethylethyl 4-oxohexahydro-1h-azepine-1-carboxylate |
| IUPAC Name | tert-butyl 4-oxoazepane-1-carboxylate |
| InChI Key | PMLBUVZPRKXMOX-UHFFFAOYSA-N |
| Molecular Formula | C11H19NO3 |
Artemisinin, 98%
CAS: 63968-64-9 Molecular Formula: C15H22O5 Molecular Weight (g/mol): 282.336 MDL Number: MFCD00081057 InChI Key: BLUAFEHZUWYNDE-DKGJTOOQSA-N Synonym: artemisinine,artemisinin,gnf-pf-5341,artemisinin, 18,1s,4s,5r,8s,9r,12s,13r-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo 10.3.1.0^ 4,13 .0^ 8,13 hexadecan-10-one,1s,4s,5r,8s,9r,12s,13r-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo 10.3.1.04,13.08,13 hexadecan-10-one PubChem CID: 9838675 SMILES: CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C
| PubChem CID | 9838675 |
|---|---|
| CAS | 63968-64-9 |
| Molecular Weight (g/mol) | 282.336 |
| MDL Number | MFCD00081057 |
| SMILES | CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C |
| Synonym | artemisinine,artemisinin,gnf-pf-5341,artemisinin, 18,1s,4s,5r,8s,9r,12s,13r-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo 10.3.1.0^ 4,13 .0^ 8,13 hexadecan-10-one,1s,4s,5r,8s,9r,12s,13r-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo 10.3.1.04,13.08,13 hexadecan-10-one |
| InChI Key | BLUAFEHZUWYNDE-DKGJTOOQSA-N |
| Molecular Formula | C15H22O5 |
Hexahydro-4-methylphthalic anhydride, 98%, mixture of cis and trans
CAS: 19438-60-9 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.19 MDL Number: MFCD00005927 InChI Key: FKBMTBAXDISZGN-UHFFFAOYSA-N Synonym: hexahydro-4-methylphthalic anhydride,4-methylhexahydrophthalic anhydride,5-methylhexahydroisobenzofuran-1,3-dione,4-methyl-1,2-cyclohexanedicarboxylic anhydride,1,3-isobenzofurandione, hexahydro-5-methyl,1,3-isobenzofurandione, hexahydromethyl,4-methylcyclohexane-1,2-dicarboxylic anhydride,5-methylhexahydrophthalic anhydride,5-methyl-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione,4-methyl-1,2-cyclohexanedicarboxylic anhydride, mixture of isomers PubChem CID: 86876 IUPAC Name: 5-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione SMILES: CC1CCC2C(C1)C(=O)OC2=O
| PubChem CID | 86876 |
|---|---|
| CAS | 19438-60-9 |
| Molecular Weight (g/mol) | 168.19 |
| MDL Number | MFCD00005927 |
| SMILES | CC1CCC2C(C1)C(=O)OC2=O |
| Synonym | hexahydro-4-methylphthalic anhydride,4-methylhexahydrophthalic anhydride,5-methylhexahydroisobenzofuran-1,3-dione,4-methyl-1,2-cyclohexanedicarboxylic anhydride,1,3-isobenzofurandione, hexahydro-5-methyl,1,3-isobenzofurandione, hexahydromethyl,4-methylcyclohexane-1,2-dicarboxylic anhydride,5-methylhexahydrophthalic anhydride,5-methyl-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dione,4-methyl-1,2-cyclohexanedicarboxylic anhydride, mixture of isomers |
| IUPAC Name | 5-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione |
| InChI Key | FKBMTBAXDISZGN-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |