Organoheterocyclic compounds
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3-Thiopheneacetic acid, 98%
CAS: 6964-21-2 Molecular Formula: C6H6O2S Molecular Weight (g/mol): 142.172 MDL Number: MFCD00005473 InChI Key: RCNOGGGBSSVMAS-UHFFFAOYSA-N Synonym: 3-thiopheneacetic acid,3-thienylacetic acid,2-thiophen-3-yl acetic acid,thiophene-3-acetic acid,thiophen-3-yl-acetic acid,3-thiophenacetic acid,thien-3-ylacetic acid,3-thiopheneethanoic acid,thiophen-3-ylacetic acid,2-3-thienyl acetic acid PubChem CID: 23404 IUPAC Name: 2-thiophen-3-ylacetic acid SMILES: C1=CSC=C1CC(=O)O
| PubChem CID | 23404 |
|---|---|
| CAS | 6964-21-2 |
| Molecular Weight (g/mol) | 142.172 |
| MDL Number | MFCD00005473 |
| SMILES | C1=CSC=C1CC(=O)O |
| Synonym | 3-thiopheneacetic acid,3-thienylacetic acid,2-thiophen-3-yl acetic acid,thiophene-3-acetic acid,thiophen-3-yl-acetic acid,3-thiophenacetic acid,thien-3-ylacetic acid,3-thiopheneethanoic acid,thiophen-3-ylacetic acid,2-3-thienyl acetic acid |
| IUPAC Name | 2-thiophen-3-ylacetic acid |
| InChI Key | RCNOGGGBSSVMAS-UHFFFAOYSA-N |
| Molecular Formula | C6H6O2S |
5-Amino-1H-tetrazole monohydrate, 99%
CAS: 15454-54-3 Molecular Formula: CH5N5O Molecular Weight (g/mol): 103.085 MDL Number: MFCD00149327 InChI Key: JVSMPWHQUPKRNV-UHFFFAOYSA-N Synonym: 1h-tetrazol-5-amine hydrate,5-amino-1h-tetrazole monohydrate,5-aminotetrazole monohydrate,5-amino-1h-tetrazole hydrate,5-aminotetrazole hydrate,1h-1,2,3,4-tetrazol-5-amine hydrate,2h-1,2,3,4-tetrazol-5-amine hydrate,tetrazol-5-amine,5-aminotetrazole.h2o,5-aminotetrazole h2o PubChem CID: 12211273 IUPAC Name: 2H-tetrazol-5-amine;hydrate SMILES: C1(=NNN=N1)N.O
| PubChem CID | 12211273 |
|---|---|
| CAS | 15454-54-3 |
| Molecular Weight (g/mol) | 103.085 |
| MDL Number | MFCD00149327 |
| SMILES | C1(=NNN=N1)N.O |
| Synonym | 1h-tetrazol-5-amine hydrate,5-amino-1h-tetrazole monohydrate,5-aminotetrazole monohydrate,5-amino-1h-tetrazole hydrate,5-aminotetrazole hydrate,1h-1,2,3,4-tetrazol-5-amine hydrate,2h-1,2,3,4-tetrazol-5-amine hydrate,tetrazol-5-amine,5-aminotetrazole.h2o,5-aminotetrazole h2o |
| IUPAC Name | 2H-tetrazol-5-amine;hydrate |
| InChI Key | JVSMPWHQUPKRNV-UHFFFAOYSA-N |
| Molecular Formula | CH5N5O |
Benzo[h]quinoline, 98%
CAS: 230-27-3 Molecular Formula: C13H9N Molecular Weight (g/mol): 179.222 MDL Number: MFCD00004984 InChI Key: WZJYKHNJTSNBHV-UHFFFAOYSA-N Synonym: benzo h quinoline,7,8-benzoquinoline,4-azaphenanthrene,1-naphthoquinoline,benzoquinoline,alpha-naphthoquinoline,alpha-benzoquinoline,7,8-bnzoquinoline,.alpha.-benzoquinoline PubChem CID: 9191 IUPAC Name: benzo[h]quinoline SMILES: C1=CC=C2C(=C1)C=CC3=C2N=CC=C3
| PubChem CID | 9191 |
|---|---|
| CAS | 230-27-3 |
| Molecular Weight (g/mol) | 179.222 |
| MDL Number | MFCD00004984 |
| SMILES | C1=CC=C2C(=C1)C=CC3=C2N=CC=C3 |
| Synonym | benzo h quinoline,7,8-benzoquinoline,4-azaphenanthrene,1-naphthoquinoline,benzoquinoline,alpha-naphthoquinoline,alpha-benzoquinoline,7,8-bnzoquinoline,.alpha.-benzoquinoline |
| IUPAC Name | benzo[h]quinoline |
| InChI Key | WZJYKHNJTSNBHV-UHFFFAOYSA-N |
| Molecular Formula | C13H9N |
2-Amino-5-cyclopropyl-1,3,4-thiadiazole, 98%
CAS: 57235-50-4 Molecular Formula: C5H7N3S Molecular Weight (g/mol): 141.19 MDL Number: MFCD00051649 InChI Key: AVLUMBXGKFNNAS-UHFFFAOYSA-N Synonym: 2-amino-5-cyclopropyl-1,3,4-thiadiazole,5-cyclopropyl 1,3,4 thiadiazol-2-ylamine,5-cyclopropyl-1,3,4-thiadiazole-2-ylamine,acmc-20ao4n,enamine_005503,5-cyclopropyl-2-amino-1,3,4-thiadiazole,1,3,4-thiadiazol-2-amine,5-cyclopropyl,5-cyclopropyl-1,3,4 thiadiazol-2-ylamine PubChem CID: 717021 IUPAC Name: 5-cyclopropyl-1,3,4-thiadiazol-2-amine SMILES: NC1=NN=C(S1)C1CC1
| PubChem CID | 717021 |
|---|---|
| CAS | 57235-50-4 |
| Molecular Weight (g/mol) | 141.19 |
| MDL Number | MFCD00051649 |
| SMILES | NC1=NN=C(S1)C1CC1 |
| Synonym | 2-amino-5-cyclopropyl-1,3,4-thiadiazole,5-cyclopropyl 1,3,4 thiadiazol-2-ylamine,5-cyclopropyl-1,3,4-thiadiazole-2-ylamine,acmc-20ao4n,enamine_005503,5-cyclopropyl-2-amino-1,3,4-thiadiazole,1,3,4-thiadiazol-2-amine,5-cyclopropyl,5-cyclopropyl-1,3,4 thiadiazol-2-ylamine |
| IUPAC Name | 5-cyclopropyl-1,3,4-thiadiazol-2-amine |
| InChI Key | AVLUMBXGKFNNAS-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3S |
5-Phenyl-1H-tetrazole, 99%
CAS: 18039-42-4 Molecular Formula: C7H6N4 Molecular Weight (g/mol): 146.153 MDL Number: MFCD00022388 InChI Key: MARUHZGHZWCEQU-UHFFFAOYSA-N Synonym: 5-phenyl-1h-tetrazole,5-phenyltetrazole,1h-tetrazole, 5-phenyl,2h-tetrazole, 5-phenyl,phenyltetrazole,5-phenyl tetrazole,expandex 5pt,expandex ox 5pt,kempore 50xpt,5-phenyltetrazole van PubChem CID: 87425 IUPAC Name: 5-phenyl-2H-tetrazole SMILES: C1=CC=C(C=C1)C2=NNN=N2
| PubChem CID | 87425 |
|---|---|
| CAS | 18039-42-4 |
| Molecular Weight (g/mol) | 146.153 |
| MDL Number | MFCD00022388 |
| SMILES | C1=CC=C(C=C1)C2=NNN=N2 |
| Synonym | 5-phenyl-1h-tetrazole,5-phenyltetrazole,1h-tetrazole, 5-phenyl,2h-tetrazole, 5-phenyl,phenyltetrazole,5-phenyl tetrazole,expandex 5pt,expandex ox 5pt,kempore 50xpt,5-phenyltetrazole van |
| IUPAC Name | 5-phenyl-2H-tetrazole |
| InChI Key | MARUHZGHZWCEQU-UHFFFAOYSA-N |
| Molecular Formula | C7H6N4 |
Furfuryl mercaptan, 97%
CAS: 98-02-2 Molecular Formula: C5H6OS Molecular Weight (g/mol): 114.16 MDL Number: MFCD00003254 InChI Key: ZFFTZDQKIXPDAF-UHFFFAOYSA-N Synonym: furfuryl mercaptan,2-furanmethanethiol,2-furylmethanethiol,furfuryl thiol,2-furylmethyl mercaptan,2-furfurylmercaptan,furan-2-yl-methanethiol,2-mercaptomethyl furan,furfurylmercaptan,2-furfurylthiol PubChem CID: 7363 IUPAC Name: furan-2-ylmethanethiol SMILES: C1=COC(=C1)CS
| PubChem CID | 7363 |
|---|---|
| CAS | 98-02-2 |
| Molecular Weight (g/mol) | 114.16 |
| MDL Number | MFCD00003254 |
| SMILES | C1=COC(=C1)CS |
| Synonym | furfuryl mercaptan,2-furanmethanethiol,2-furylmethanethiol,furfuryl thiol,2-furylmethyl mercaptan,2-furfurylmercaptan,furan-2-yl-methanethiol,2-mercaptomethyl furan,furfurylmercaptan,2-furfurylthiol |
| IUPAC Name | furan-2-ylmethanethiol |
| InChI Key | ZFFTZDQKIXPDAF-UHFFFAOYSA-N |
| Molecular Formula | C5H6OS |
2-Amino-4-methylbenzothiazole, 98%
CAS: 1477-42-5 Molecular Formula: C8H8N2S Molecular Weight (g/mol): 164.23 MDL Number: MFCD00005793 InChI Key: GRIATXVEXOFBGO-UHFFFAOYSA-N Synonym: 2-amino-4-methylbenzothiazole,4-methylbenzo d thiazol-2-amine,2-benzothiazolamine, 4-methyl,4-methyl-2-aminobenzothiazole,4-methyl-2-benzothiazolamine,benzothiazole, 2-amino-4-methyl,4-methylbenzothiazol-2-ylamine,2-amino-4-methyl benzothiazole,4-methyl-2-aminobenzothiozole,unii-45v5f1b9z8 PubChem CID: 15132 IUPAC Name: 4-methyl-1,3-benzothiazol-2-amine SMILES: CC1=C2N=C(N)SC2=CC=C1
| PubChem CID | 15132 |
|---|---|
| CAS | 1477-42-5 |
| Molecular Weight (g/mol) | 164.23 |
| MDL Number | MFCD00005793 |
| SMILES | CC1=C2N=C(N)SC2=CC=C1 |
| Synonym | 2-amino-4-methylbenzothiazole,4-methylbenzo d thiazol-2-amine,2-benzothiazolamine, 4-methyl,4-methyl-2-aminobenzothiazole,4-methyl-2-benzothiazolamine,benzothiazole, 2-amino-4-methyl,4-methylbenzothiazol-2-ylamine,2-amino-4-methyl benzothiazole,4-methyl-2-aminobenzothiozole,unii-45v5f1b9z8 |
| IUPAC Name | 4-methyl-1,3-benzothiazol-2-amine |
| InChI Key | GRIATXVEXOFBGO-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2S |
Pyromellitic diimide, 97%
CAS: 2550-73-4 Molecular Formula: C10H4N2O4 Molecular Weight (g/mol): 216.152 MDL Number: MFCD00005004 InChI Key: UGQZLDXDWSPAOM-UHFFFAOYSA-N Synonym: pyromellitic diimide,pyromellitimide,pyromellitic acid diimide,benzo 1,2-c:4,5-c' dipyrrole-1,3,5,7 2h,6h-tetrone,unii-32xa0w314g,1,2,4,5-benzenetetracarboxylic acid diimide,1,2,4,5-benzenetetracarboxylic 1,2:4,5-diimide,benzene-1,2,4,5-tetracarboxylic diimide,pyrrolo 3,4-f isoindole-1,3,5,7-tetrone,pyrrolo 3,4-f isoindole-1,3,5,7 2h,6h-tetrone PubChem CID: 75696 IUPAC Name: pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone SMILES: C1=C2C(=CC3=C1C(=O)NC3=O)C(=O)NC2=O
| PubChem CID | 75696 |
|---|---|
| CAS | 2550-73-4 |
| Molecular Weight (g/mol) | 216.152 |
| MDL Number | MFCD00005004 |
| SMILES | C1=C2C(=CC3=C1C(=O)NC3=O)C(=O)NC2=O |
| Synonym | pyromellitic diimide,pyromellitimide,pyromellitic acid diimide,benzo 1,2-c:4,5-c' dipyrrole-1,3,5,7 2h,6h-tetrone,unii-32xa0w314g,1,2,4,5-benzenetetracarboxylic acid diimide,1,2,4,5-benzenetetracarboxylic 1,2:4,5-diimide,benzene-1,2,4,5-tetracarboxylic diimide,pyrrolo 3,4-f isoindole-1,3,5,7-tetrone,pyrrolo 3,4-f isoindole-1,3,5,7 2h,6h-tetrone |
| IUPAC Name | pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone |
| InChI Key | UGQZLDXDWSPAOM-UHFFFAOYSA-N |
| Molecular Formula | C10H4N2O4 |
2-(2-Naphthyl)indole, 98%
CAS: 23746-81-8 Molecular Formula: C18H13N Molecular Weight (g/mol): 243.31 MDL Number: MFCD00124144 InChI Key: CACDYUNTCMPDMI-UHFFFAOYSA-N Synonym: 2-2-naphthyl indole,2-2-naphthyl-1h-indole,2-naphthalen-2-yl-1h-indole,acmc-1chvp,2-2-naphthyl-indol,maybridge1_005904,2-2-indolyl naphthalene,2-1h-indol-2-yl naphthalene,2-2-naphthalenyl-1h-indole PubChem CID: 265232 SMILES: N1C2=CC=CC=C2C=C1C1=CC=C2C=CC=CC2=C1
| PubChem CID | 265232 |
|---|---|
| CAS | 23746-81-8 |
| Molecular Weight (g/mol) | 243.31 |
| MDL Number | MFCD00124144 |
| SMILES | N1C2=CC=CC=C2C=C1C1=CC=C2C=CC=CC2=C1 |
| Synonym | 2-2-naphthyl indole,2-2-naphthyl-1h-indole,2-naphthalen-2-yl-1h-indole,acmc-1chvp,2-2-naphthyl-indol,maybridge1_005904,2-2-indolyl naphthalene,2-1h-indol-2-yl naphthalene,2-2-naphthalenyl-1h-indole |
| InChI Key | CACDYUNTCMPDMI-UHFFFAOYSA-N |
| Molecular Formula | C18H13N |
2-Amino-4-methylpyrimidine, 97%
CAS: 108-52-1 Molecular Formula: C5H7N3 Molecular Weight (g/mol): 109.132 MDL Number: MFCD00006101 InChI Key: GHCFWKFREBNSPC-UHFFFAOYSA-N Synonym: 2-amino-4-methylpyrimidine,2-pyrimidinamine, 4-methyl,6-methyl-2-pyrimidinamine,pyrimidine, 2-amino-4-methyl,4-methyl-2-pyrimidinamine,2-amino-4-methyl-pyrimidine,4-methylpyrimidin-2-ylamine,4-methylpyrimidine-2-ylamine,4-methyl-pyrimidin-2-ylamine,2-amino-6-methylpyrimidine PubChem CID: 7939 IUPAC Name: 4-methylpyrimidin-2-amine SMILES: CC1=NC(=NC=C1)N
| PubChem CID | 7939 |
|---|---|
| CAS | 108-52-1 |
| Molecular Weight (g/mol) | 109.132 |
| MDL Number | MFCD00006101 |
| SMILES | CC1=NC(=NC=C1)N |
| Synonym | 2-amino-4-methylpyrimidine,2-pyrimidinamine, 4-methyl,6-methyl-2-pyrimidinamine,pyrimidine, 2-amino-4-methyl,4-methyl-2-pyrimidinamine,2-amino-4-methyl-pyrimidine,4-methylpyrimidin-2-ylamine,4-methylpyrimidine-2-ylamine,4-methyl-pyrimidin-2-ylamine,2-amino-6-methylpyrimidine |
| IUPAC Name | 4-methylpyrimidin-2-amine |
| InChI Key | GHCFWKFREBNSPC-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3 |
Nicotinamide N-oxide, 98%
CAS: 1986-81-8 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.126 MDL Number: MFCD00006202 InChI Key: USSFUVKEHXDAPM-UHFFFAOYSA-N PubChem CID: 72661 IUPAC Name: 1-oxidopyridin-1-ium-3-carboxamide SMILES: C1=CC(=C[N+](=C1)[O-])C(=O)N
| PubChem CID | 72661 |
|---|---|
| CAS | 1986-81-8 |
| Molecular Weight (g/mol) | 138.126 |
| MDL Number | MFCD00006202 |
| SMILES | C1=CC(=C[N+](=C1)[O-])C(=O)N |
| IUPAC Name | 1-oxidopyridin-1-ium-3-carboxamide |
| InChI Key | USSFUVKEHXDAPM-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O2 |
8-Methylquinoline, 97%
CAS: 611-32-5 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.19 MDL Number: MFCD00006810 InChI Key: JRLTTZUODKEYDH-UHFFFAOYSA-N Synonym: quinoline, 8-methyl,8-methyl-quinoline,ccris 408,8-methyl,o-toluquinoline,8-metyl quinoline,8-methyl quinoline,pubchem5806,acmc-209mpf,dsstox_cid_888 PubChem CID: 11910 ChEBI: CHEBI:48984 IUPAC Name: 8-methylquinoline SMILES: CC1=C2N=CC=CC2=CC=C1
| PubChem CID | 11910 |
|---|---|
| CAS | 611-32-5 |
| Molecular Weight (g/mol) | 143.19 |
| ChEBI | CHEBI:48984 |
| MDL Number | MFCD00006810 |
| SMILES | CC1=C2N=CC=CC2=CC=C1 |
| Synonym | quinoline, 8-methyl,8-methyl-quinoline,ccris 408,8-methyl,o-toluquinoline,8-metyl quinoline,8-methyl quinoline,pubchem5806,acmc-209mpf,dsstox_cid_888 |
| IUPAC Name | 8-methylquinoline |
| InChI Key | JRLTTZUODKEYDH-UHFFFAOYSA-N |
| Molecular Formula | C10H9N |
3-Ethynylthiophene, 96%
CAS: 67237-53-0 Molecular Formula: C6H4S Molecular Weight (g/mol): 108.158 MDL Number: MFCD04039973 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) | 108.158 |
| MDL Number | MFCD04039973 |
| 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 |
2-Pyridineacetonitrile, 97%
CAS: 2739-97-1 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.139 MDL Number: MFCD00006346 InChI Key: UKVQBONVSSLJBB-UHFFFAOYSA-N Synonym: 2-pyridylacetonitrile,2-pyridineacetonitrile,pyridine-2-acetonitrile,2-pyridin-2-yl acetonitrile,2-2-pyridyl acetonitrile,2-cyanomethyl pyridine,pyridine-acetonitrile,pyridyl-2-acetonitrile,pyridin-2-ylacetonitrile,pyridin-2-yl acetonitrile PubChem CID: 75959 IUPAC Name: 2-pyridin-2-ylacetonitrile SMILES: C1=CC=NC(=C1)CC#N
| PubChem CID | 75959 |
|---|---|
| CAS | 2739-97-1 |
| Molecular Weight (g/mol) | 118.139 |
| MDL Number | MFCD00006346 |
| SMILES | C1=CC=NC(=C1)CC#N |
| Synonym | 2-pyridylacetonitrile,2-pyridineacetonitrile,pyridine-2-acetonitrile,2-pyridin-2-yl acetonitrile,2-2-pyridyl acetonitrile,2-cyanomethyl pyridine,pyridine-acetonitrile,pyridyl-2-acetonitrile,pyridin-2-ylacetonitrile,pyridin-2-yl acetonitrile |
| IUPAC Name | 2-pyridin-2-ylacetonitrile |
| InChI Key | UKVQBONVSSLJBB-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2 |
5-Aminobenzothiazole, 96%
CAS: 1123-93-9 Molecular Formula: C7H6N2S Molecular Weight (g/mol): 150.20 MDL Number: MFCD04115282 InChI Key: UJZYHMZRXGNDFB-UHFFFAOYSA-N Synonym: 5-benzothiazolamine,benzothiazol-5-ylamine,benzo d thiazol-5-amine,benzothiazol-5-amine,5-amino-1,3-benzothiazole,5-aminobenzothiazole,1,3-benzothiazole-5-amine,1,3-benzothiazol-5-ylamine,5-amino-1,3-benzothiazol,5-amino-benzothiazole PubChem CID: 70749 IUPAC Name: 1,3-benzothiazol-5-amine SMILES: NC1=CC=C2SC=NC2=C1
| PubChem CID | 70749 |
|---|---|
| CAS | 1123-93-9 |
| Molecular Weight (g/mol) | 150.20 |
| MDL Number | MFCD04115282 |
| SMILES | NC1=CC=C2SC=NC2=C1 |
| Synonym | 5-benzothiazolamine,benzothiazol-5-ylamine,benzo d thiazol-5-amine,benzothiazol-5-amine,5-amino-1,3-benzothiazole,5-aminobenzothiazole,1,3-benzothiazole-5-amine,1,3-benzothiazol-5-ylamine,5-amino-1,3-benzothiazol,5-amino-benzothiazole |
| IUPAC Name | 1,3-benzothiazol-5-amine |
| InChI Key | UJZYHMZRXGNDFB-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2S |