Organoheterocyclic compounds
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3H-1,2-Benzodithiol-one 1,1-dioxide, 98%
CAS: 66304-01-6 Molecular Formula: C7H4O3S2 Molecular Weight (g/mol): 200.226 MDL Number: MFCD00132960 InChI Key: JUDOLRSMWHVKGX-UHFFFAOYSA-N PubChem CID: 3009847 IUPAC Name: 1,1-dioxo-1$l^{6},2-benzodithiol-3-one SMILES: C1=CC=C2C(=C1)C(=O)SS2(=O)=O
| PubChem CID | 3009847 |
|---|---|
| CAS | 66304-01-6 |
| Molecular Weight (g/mol) | 200.226 |
| MDL Number | MFCD00132960 |
| SMILES | C1=CC=C2C(=C1)C(=O)SS2(=O)=O |
| IUPAC Name | 1,1-dioxo-1$l^{6},2-benzodithiol-3-one |
| InChI Key | JUDOLRSMWHVKGX-UHFFFAOYSA-N |
| Molecular Formula | C7H4O3S2 |
Tetrathiafulvalene 7,7,8,8-tetracyanoquinodimethane salt, ≥97.0% (CHNS), MilliporeSigma™ Supelco™
MDL Number: MFCD10566936 Synonym: 7,7,8,8-Tetracyanoquinodimethane Tetrathiafulvalene salt; TCNQ-TTF; TTF-TCNQ
| MDL Number | MFCD10566936 |
|---|---|
| Synonym | 7,7,8,8-Tetracyanoquinodimethane Tetrathiafulvalene salt; TCNQ-TTF; TTF-TCNQ |
2-(2-Thienyl)ethanol, 98%
CAS: 5402-55-1 Molecular Formula: C6H8OS Molecular Weight (g/mol): 128.19 MDL Number: MFCD00005462 InChI Key: VMJOFTHFJMLIKL-UHFFFAOYSA-N Synonym: 2-thiopheneethanol,2-2-thienyl ethanol,thiophene-2-ethanol,2-thiophen-2-yl ethanol,2-2-hydroxyethyl thiophene,2-thiophen-2-yl ethan-1-ol,ethanol, 2-2-thienyl,2-thiophenethanol,2-2-thienyl-ethanol,2-thienylethanol PubChem CID: 79400 IUPAC Name: 2-thiophen-2-ylethanol SMILES: OCCC1=CC=CS1
| PubChem CID | 79400 |
|---|---|
| CAS | 5402-55-1 |
| Molecular Weight (g/mol) | 128.19 |
| MDL Number | MFCD00005462 |
| SMILES | OCCC1=CC=CS1 |
| Synonym | 2-thiopheneethanol,2-2-thienyl ethanol,thiophene-2-ethanol,2-thiophen-2-yl ethanol,2-2-hydroxyethyl thiophene,2-thiophen-2-yl ethan-1-ol,ethanol, 2-2-thienyl,2-thiophenethanol,2-2-thienyl-ethanol,2-thienylethanol |
| IUPAC Name | 2-thiophen-2-ylethanol |
| InChI Key | VMJOFTHFJMLIKL-UHFFFAOYSA-N |
| Molecular Formula | C6H8OS |
2-Phenylthiazole, 98%
CAS: 1826-11-5 Molecular Formula: C9H7NS Molecular Weight (g/mol): 161.23 InChI Key: WYKHSBAVLOPISI-UHFFFAOYSA-N Synonym: 2-phenylthiazole,thiazole, 2-phenyl,phenylthiazole,2-phenyl thiazole,#,ksc174s8f,tpc-i164 PubChem CID: 547494 IUPAC Name: 2-phenyl-1,3-thiazole SMILES: C1=CC=C(C=C1)C2=NC=CS2
| PubChem CID | 547494 |
|---|---|
| CAS | 1826-11-5 |
| Molecular Weight (g/mol) | 161.23 |
| SMILES | C1=CC=C(C=C1)C2=NC=CS2 |
| Synonym | 2-phenylthiazole,thiazole, 2-phenyl,phenylthiazole,2-phenyl thiazole,#,ksc174s8f,tpc-i164 |
| IUPAC Name | 2-phenyl-1,3-thiazole |
| InChI Key | WYKHSBAVLOPISI-UHFFFAOYSA-N |
| Molecular Formula | C9H7NS |
5-Azacytosine, 98% (dry wt.), may cont. up to ca 7% water
CAS: 931-86-2 Molecular Formula: C3H4N4O Molecular Weight (g/mol): 112.09 MDL Number: MFCD00006033,MFCD00149402,MFCD00051007 InChI Key: MFEFTTYGMZOIKO-UHFFFAOYSA-N Synonym: 5-azacytosine,1,3,5-triazin-2 1h-one, 4-amino,4-amino-1,3,5-triazin-2 1h-one,4-amino-1,3,5-triazin-2-ol,4-amino-1,3,5-triazin-2-one,s-triazin-2 1h-one, 4-amino,s-triazin-2-ol, 4-amino,2-amino-4-hydroxy-s-triazine,6-amino-1,3,5-triazin-2 1h-one,4-amino-s-triazin-2 1h-one PubChem CID: 19956 ChEBI: CHEBI:72474 SMILES: NC1=NC=NC(=O)N1
| PubChem CID | 19956 |
|---|---|
| CAS | 931-86-2 |
| Molecular Weight (g/mol) | 112.09 |
| ChEBI | CHEBI:72474 |
| MDL Number | MFCD00006033,MFCD00149402,MFCD00051007 |
| SMILES | NC1=NC=NC(=O)N1 |
| Synonym | 5-azacytosine,1,3,5-triazin-2 1h-one, 4-amino,4-amino-1,3,5-triazin-2 1h-one,4-amino-1,3,5-triazin-2-ol,4-amino-1,3,5-triazin-2-one,s-triazin-2 1h-one, 4-amino,s-triazin-2-ol, 4-amino,2-amino-4-hydroxy-s-triazine,6-amino-1,3,5-triazin-2 1h-one,4-amino-s-triazin-2 1h-one |
| InChI Key | MFEFTTYGMZOIKO-UHFFFAOYSA-N |
| Molecular Formula | C3H4N4O |
5-(3-Methylphenyl)-1H-tetrazole, 99%
CAS: 3441-00-7 Molecular Formula: C8H8N4 Molecular Weight (g/mol): 160.18 MDL Number: MFCD03093096 InChI Key: GWZNHKMUSLKULV-UHFFFAOYSA-N Synonym: 5-3-methylphenyl-1h-tetrazole,5-m-tolyl-1h-tetrazole,5-3-methylphenyl tetrazole,2h-tetrazole,5-3-methylphenyl,5-3-methylphenyl-1h-1,2,3,4-tetrazole,3-tolyl tetrazole,5-m-tolyl tetrazole,acmc-1cmun,5-m-tolyl 1h tetrazole PubChem CID: 583308 IUPAC Name: 5-(3-methylphenyl)-2H-tetrazole SMILES: CC1=CC=CC(=C1)C2=NNN=N2
| PubChem CID | 583308 |
|---|---|
| CAS | 3441-00-7 |
| Molecular Weight (g/mol) | 160.18 |
| MDL Number | MFCD03093096 |
| SMILES | CC1=CC=CC(=C1)C2=NNN=N2 |
| Synonym | 5-3-methylphenyl-1h-tetrazole,5-m-tolyl-1h-tetrazole,5-3-methylphenyl tetrazole,2h-tetrazole,5-3-methylphenyl,5-3-methylphenyl-1h-1,2,3,4-tetrazole,3-tolyl tetrazole,5-m-tolyl tetrazole,acmc-1cmun,5-m-tolyl 1h tetrazole |
| IUPAC Name | 5-(3-methylphenyl)-2H-tetrazole |
| InChI Key | GWZNHKMUSLKULV-UHFFFAOYSA-N |
| Molecular Formula | C8H8N4 |
4-Methyl-5-(2-pyrazinyl)-1,2-dithiole-3-thione
CAS: 64224-21-1 Molecular Formula: C8H6N2S3 Molecular Weight (g/mol): 226.33 MDL Number: MFCD00868499 InChI Key: CKNAQFVBEHDJQV-UHFFFAOYSA-N Synonym: oltipraz,oltiprazum,4-methyl-5-pyrazin-2-yl-3h-1,2-dithiole-3-thione,ccris 4048,oltipraz inn,4-methyl-5-pyrazinyl-3h-1,2-dithiole-3-thione,oltiprazum inn-latin,unii-6n510jul1y,5-2-pyrazinyl-4-methyl-1,2-dithiole-3-thione,3h-1,2-dithiole-3-thione, 4-methyl-5-pyrazinyl PubChem CID: 47318 ChEBI: CHEBI:77319 IUPAC Name: 4-methyl-5-pyrazin-2-yldithiole-3-thione SMILES: CC1=C(SSC1=S)C1=CN=CC=N1
| PubChem CID | 47318 |
|---|---|
| CAS | 64224-21-1 |
| Molecular Weight (g/mol) | 226.33 |
| ChEBI | CHEBI:77319 |
| MDL Number | MFCD00868499 |
| SMILES | CC1=C(SSC1=S)C1=CN=CC=N1 |
| Synonym | oltipraz,oltiprazum,4-methyl-5-pyrazin-2-yl-3h-1,2-dithiole-3-thione,ccris 4048,oltipraz inn,4-methyl-5-pyrazinyl-3h-1,2-dithiole-3-thione,oltiprazum inn-latin,unii-6n510jul1y,5-2-pyrazinyl-4-methyl-1,2-dithiole-3-thione,3h-1,2-dithiole-3-thione, 4-methyl-5-pyrazinyl |
| IUPAC Name | 4-methyl-5-pyrazin-2-yldithiole-3-thione |
| InChI Key | CKNAQFVBEHDJQV-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2S3 |
3-Ethynylthiophene, 96%
CAS: 67237-53-0 Molecular Formula: C6H4S Molecular Weight (g/mol): 108.16 InChI Key: MJHLPKWONJUCFK-UHFFFAOYSA-N Synonym: 3-ethynyl thiophene,thiophene, 3-ethynyl,3-thienylacetylene,thiophen-3-yl acetylene,3-ethynyl-thiophene,3-ethynyl thiophene;,pubchem16122,thien-3-yl acetylene,3-ethynylthiophene,ksc352m9b PubChem CID: 3548422 IUPAC Name: 3-ethynylthiophene SMILES: C#CC1=CSC=C1
| PubChem CID | 3548422 |
|---|---|
| CAS | 67237-53-0 |
| Molecular Weight (g/mol) | 108.16 |
| SMILES | C#CC1=CSC=C1 |
| Synonym | 3-ethynyl thiophene,thiophene, 3-ethynyl,3-thienylacetylene,thiophen-3-yl acetylene,3-ethynyl-thiophene,3-ethynyl thiophene;,pubchem16122,thien-3-yl acetylene,3-ethynylthiophene,ksc352m9b |
| IUPAC Name | 3-ethynylthiophene |
| InChI Key | MJHLPKWONJUCFK-UHFFFAOYSA-N |
| Molecular Formula | C6H4S |
trans-3-(3-Thienyl)acrylic acid, 98%
CAS: 102696-71-9 Molecular Formula: C7H6O2S Molecular Weight (g/mol): 154.183 MDL Number: MFCD00014535 InChI Key: VYRYYUKILKRGDN-OWOJBTEDSA-N Synonym: 3-3-thienyl acrylic acid,3-thien-3-ylacrylic acid,3-thiophen-3-yl acrylic acid,trans-3-3-thienyl acrylic acid,2e-3-thiophen-3-yl prop-2-enoic acid,e-3-thiophen-3-yl acrylic acid,3-thiophen-3-yl prop-2-enoic acid,trans-3-3-thienyl acrylic,2-propenoic acid, 3-3-thienyl-, 2e,2e-3-3-thienyl prop-2-enoic acid PubChem CID: 735793 IUPAC Name: (E)-3-thiophen-3-ylprop-2-enoic acid SMILES: C1=CSC=C1C=CC(=O)O
| PubChem CID | 735793 |
|---|---|
| CAS | 102696-71-9 |
| Molecular Weight (g/mol) | 154.183 |
| MDL Number | MFCD00014535 |
| SMILES | C1=CSC=C1C=CC(=O)O |
| Synonym | 3-3-thienyl acrylic acid,3-thien-3-ylacrylic acid,3-thiophen-3-yl acrylic acid,trans-3-3-thienyl acrylic acid,2e-3-thiophen-3-yl prop-2-enoic acid,e-3-thiophen-3-yl acrylic acid,3-thiophen-3-yl prop-2-enoic acid,trans-3-3-thienyl acrylic,2-propenoic acid, 3-3-thienyl-, 2e,2e-3-3-thienyl prop-2-enoic acid |
| IUPAC Name | (E)-3-thiophen-3-ylprop-2-enoic acid |
| InChI Key | VYRYYUKILKRGDN-OWOJBTEDSA-N |
| Molecular Formula | C7H6O2S |
7-Methylindole, 98%
CAS: 933-67-5 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.178 MDL Number: MFCD00005684 InChI Key: KGWPHCDTOLQQEP-UHFFFAOYSA-N Synonym: 7-methylindole,7-methylindol,1h-indole, 7-methyl,indole, 7-methyl,7-methyindole,7-methyl-indole,7-methyl indole,unii-7z1e6hit9s,7z1e6hit9s,7-methyl-1h-indol-1-yl PubChem CID: 70275 IUPAC Name: 7-methyl-1H-indole SMILES: CC1=CC=CC2=C1NC=C2
| PubChem CID | 70275 |
|---|---|
| CAS | 933-67-5 |
| Molecular Weight (g/mol) | 131.178 |
| MDL Number | MFCD00005684 |
| SMILES | CC1=CC=CC2=C1NC=C2 |
| Synonym | 7-methylindole,7-methylindol,1h-indole, 7-methyl,indole, 7-methyl,7-methyindole,7-methyl-indole,7-methyl indole,unii-7z1e6hit9s,7z1e6hit9s,7-methyl-1h-indol-1-yl |
| IUPAC Name | 7-methyl-1H-indole |
| InChI Key | KGWPHCDTOLQQEP-UHFFFAOYSA-N |
| Molecular Formula | C9H9N |
Thianaphthene, 97%
CAS: 95-15-8 Molecular Formula: C8H6S Molecular Weight (g/mol): 134.2 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) | 134.2 |
| 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 |
Difurfurylsulfide, 96%, Thermo Scientific™
CAS: 13678-67-6 Molecular Formula: C10H10SO2 Molecular Weight (g/mol): 194.25 InChI Key: UYLKDZXJEKFFHJ-UHFFFAOYSA-N Synonym: difurfuryl sulfide,furfuryl sulfide,difurfurylsulfide,2-furfuryl monosulfide,furan, 2,2'-thiobis methylene bis,bis 2-furfuryl sulfide,unii-x6o686cpco,bis furan-2-ylmethyl sulfane,bis-furfuryl sulfide,2-difurfuryl sulfide PubChem CID: 61659 IUPAC Name: 2-(furan-2-ylmethylsulfanylmethyl)furan SMILES: C1=COC(=C1)CSCC2=CC=CO2
| PubChem CID | 61659 |
|---|---|
| CAS | 13678-67-6 |
| Molecular Weight (g/mol) | 194.25 |
| SMILES | C1=COC(=C1)CSCC2=CC=CO2 |
| Synonym | difurfuryl sulfide,furfuryl sulfide,difurfurylsulfide,2-furfuryl monosulfide,furan, 2,2'-thiobis methylene bis,bis 2-furfuryl sulfide,unii-x6o686cpco,bis furan-2-ylmethyl sulfane,bis-furfuryl sulfide,2-difurfuryl sulfide |
| IUPAC Name | 2-(furan-2-ylmethylsulfanylmethyl)furan |
| InChI Key | UYLKDZXJEKFFHJ-UHFFFAOYSA-N |
| Molecular Formula | C10H10SO2 |
2,4-Dimethyl-3-ethylpyrrole, 96%
CAS: 517-22-6 MDL Number: MFCD00005222 InChI Key: ZEBBLOXDLGIMEG-UHFFFAOYSA-N Synonym: 2,4-dimethyl-3-ethylpyrrole,kryptopyrrole,kryptopyrrol,3-ethyl-2,4-dimethylpyrrole,cryptopyrrole,2,4-dimethyl-3-ethyl-1h-pyrrole,1h-pyrrole, 3-ethyl-2,4-dimethyl,pyrrole, 3-ethyl-2,4-dimethyl,acmc-209kvh,5-20-05-00099 beilstein handbook reference PubChem CID: 10600 IUPAC Name: 3-ethyl-2,4-dimethyl-1H-pyrrole SMILES: CCC1=C(NC=C1C)C
| PubChem CID | 10600 |
|---|---|
| CAS | 517-22-6 |
| MDL Number | MFCD00005222 |
| SMILES | CCC1=C(NC=C1C)C |
| Synonym | 2,4-dimethyl-3-ethylpyrrole,kryptopyrrole,kryptopyrrol,3-ethyl-2,4-dimethylpyrrole,cryptopyrrole,2,4-dimethyl-3-ethyl-1h-pyrrole,1h-pyrrole, 3-ethyl-2,4-dimethyl,pyrrole, 3-ethyl-2,4-dimethyl,acmc-209kvh,5-20-05-00099 beilstein handbook reference |
| IUPAC Name | 3-ethyl-2,4-dimethyl-1H-pyrrole |
| InChI Key | ZEBBLOXDLGIMEG-UHFFFAOYSA-N |
2-Amino-6-methylbenzothiazole, 99%
CAS: 2536-91-6 Molecular Formula: C8H8N2S Molecular Weight (g/mol): 164.23 MDL Number: MFCD00005789 InChI Key: DZWTXWPRWRLHIL-UHFFFAOYSA-N Synonym: 2-amino-6-methylbenzothiazole,6-methylbenzo d thiazol-2-amine,2-benzothiazolamine, 6-methyl,6-methyl-2-aminobenzothiazole,2-methylbenzothiazol-2-amine,6-methyl-2-benzothiazolylamine,benzothiazole, 2-amino-6-methyl,6-methyl-benzothiazol-2-ylamine,2-amino-6-methyl-benzothiazole,6-methyl-2-benzothiazolamine PubChem CID: 17335 IUPAC Name: 6-methyl-1,3-benzothiazol-2-amine SMILES: CC1=CC=C2N=C(N)SC2=C1
| PubChem CID | 17335 |
|---|---|
| CAS | 2536-91-6 |
| Molecular Weight (g/mol) | 164.23 |
| MDL Number | MFCD00005789 |
| SMILES | CC1=CC=C2N=C(N)SC2=C1 |
| Synonym | 2-amino-6-methylbenzothiazole,6-methylbenzo d thiazol-2-amine,2-benzothiazolamine, 6-methyl,6-methyl-2-aminobenzothiazole,2-methylbenzothiazol-2-amine,6-methyl-2-benzothiazolylamine,benzothiazole, 2-amino-6-methyl,6-methyl-benzothiazol-2-ylamine,2-amino-6-methyl-benzothiazole,6-methyl-2-benzothiazolamine |
| IUPAC Name | 6-methyl-1,3-benzothiazol-2-amine |
| InChI Key | DZWTXWPRWRLHIL-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2S |
4,7-Phenanthroline, 98%
CAS: 230-07-9 Molecular Formula: C12H8N2 Molecular Weight (g/mol): 180.21 MDL Number: MFCD00004987 InChI Key: DATYUTWESAKQQM-UHFFFAOYSA-N Synonym: 4,7 phenanthroline,pyridino 3,2-f quinoline,acmc-1conx,4,7-phenanthroline,bidd:gt0447,chembl81429 PubChem CID: 67472 ChEBI: CHEBI:36419 IUPAC Name: 4,7-phenanthroline SMILES: C1=CC2=C(C=CC3=C2C=CC=N3)N=C1
| PubChem CID | 67472 |
|---|---|
| CAS | 230-07-9 |
| Molecular Weight (g/mol) | 180.21 |
| ChEBI | CHEBI:36419 |
| MDL Number | MFCD00004987 |
| SMILES | C1=CC2=C(C=CC3=C2C=CC=N3)N=C1 |
| Synonym | 4,7 phenanthroline,pyridino 3,2-f quinoline,acmc-1conx,4,7-phenanthroline,bidd:gt0447,chembl81429 |
| IUPAC Name | 4,7-phenanthroline |
| InChI Key | DATYUTWESAKQQM-UHFFFAOYSA-N |
| Molecular Formula | C12H8N2 |