Organoheterocyclic compounds
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2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
CAS: 70291-62-2 Molecular Formula: C8H8N2S Molecular Weight (g/mol): 164.23 MDL Number: MFCD00121495 InChI Key: RILAXFOADRDGPQ-UHFFFAOYSA-N PubChem CID: 258182 IUPAC Name: 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile SMILES: NC1=C(C#N)C2=C(CCC2)S1
| PubChem CID | 258182 |
|---|---|
| CAS | 70291-62-2 |
| Molecular Weight (g/mol) | 164.23 |
| MDL Number | MFCD00121495 |
| SMILES | NC1=C(C#N)C2=C(CCC2)S1 |
| IUPAC Name | 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile |
| InChI Key | RILAXFOADRDGPQ-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2S |
2-Furonitrile, 98+%
CAS: 617-90-3 Molecular Formula: C5H3NO Molecular Weight (g/mol): 93.09 MDL Number: MFCD00003223 InChI Key: YXDXXGXWFJCXEB-UHFFFAOYSA-N Synonym: 2-furonitrile,2-cyanofuran,2-furancarbonitrile,2-furyl cyanide,unii-2lrk86h722,.alpha.-furyl cyanide,pubchem6961,acmc-209mwb,2-cyanofuran;2-furancarbonitrile PubChem CID: 69245 IUPAC Name: furan-2-carbonitrile SMILES: N#CC1=CC=CO1
| PubChem CID | 69245 |
|---|---|
| CAS | 617-90-3 |
| Molecular Weight (g/mol) | 93.09 |
| MDL Number | MFCD00003223 |
| SMILES | N#CC1=CC=CO1 |
| Synonym | 2-furonitrile,2-cyanofuran,2-furancarbonitrile,2-furyl cyanide,unii-2lrk86h722,.alpha.-furyl cyanide,pubchem6961,acmc-209mwb,2-cyanofuran;2-furancarbonitrile |
| IUPAC Name | furan-2-carbonitrile |
| InChI Key | YXDXXGXWFJCXEB-UHFFFAOYSA-N |
| Molecular Formula | C5H3NO |
5-Methylbenzo[b]thiophene, 97%
CAS: 14315-14-1 Molecular Formula: C9H8S Molecular Weight (g/mol): 148.22 MDL Number: MFCD00052509 InChI Key: DOHZWDWNQFZIKH-UHFFFAOYSA-N Synonym: 5-methylbenzo b thiophene,benzo b thiophene, 5-methyl,5-methylbenzothiophene,5-methyl-benzo b thiophene,5-methylthianaphthene,5-methyl-benzothiophene,benzothiophene, 5-mehyl,5-methyl benzo b thiophene PubChem CID: 84346 IUPAC Name: 5-methyl-1-benzothiophene SMILES: CC1=CC=C2SC=CC2=C1
| PubChem CID | 84346 |
|---|---|
| CAS | 14315-14-1 |
| Molecular Weight (g/mol) | 148.22 |
| MDL Number | MFCD00052509 |
| SMILES | CC1=CC=C2SC=CC2=C1 |
| Synonym | 5-methylbenzo b thiophene,benzo b thiophene, 5-methyl,5-methylbenzothiophene,5-methyl-benzo b thiophene,5-methylthianaphthene,5-methyl-benzothiophene,benzothiophene, 5-mehyl,5-methyl benzo b thiophene |
| IUPAC Name | 5-methyl-1-benzothiophene |
| InChI Key | DOHZWDWNQFZIKH-UHFFFAOYSA-N |
| Molecular Formula | C9H8S |
2-Isobutylthiazole, 99%
CAS: 18640-74-9 Molecular Formula: C7H11NS Molecular Weight (g/mol): 141.232 MDL Number: MFCD00005334 InChI Key: CMPVUVUNJQERIT-UHFFFAOYSA-N Synonym: 2-isobutylthiazole,2-isobutyl-1,3-thiazole,2-2-methylpropyl thiazole,thiazole, 2-isobutyl,2-2-methylpropyl-1,3-thiazole,2-isobutyl thiazole,thiazole, 2-2-methylpropyl,iso-butyl thiazole,fema no. 3134 PubChem CID: 62725 IUPAC Name: 2-(2-methylpropyl)-1,3-thiazole SMILES: CC(C)CC1=NC=CS1
| PubChem CID | 62725 |
|---|---|
| CAS | 18640-74-9 |
| Molecular Weight (g/mol) | 141.232 |
| MDL Number | MFCD00005334 |
| SMILES | CC(C)CC1=NC=CS1 |
| Synonym | 2-isobutylthiazole,2-isobutyl-1,3-thiazole,2-2-methylpropyl thiazole,thiazole, 2-isobutyl,2-2-methylpropyl-1,3-thiazole,2-isobutyl thiazole,thiazole, 2-2-methylpropyl,iso-butyl thiazole,fema no. 3134 |
| IUPAC Name | 2-(2-methylpropyl)-1,3-thiazole |
| InChI Key | CMPVUVUNJQERIT-UHFFFAOYSA-N |
| Molecular Formula | C7H11NS |
1-Methylpyrrole, 99%
CAS: 96-54-8 Molecular Formula: C5H7N Molecular Weight (g/mol): 81.118 MDL Number: MFCD00005345 InChI Key: OXHNLMTVIGZXSG-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrrole,n-methylpyrrole,n-methyl pyrrole,1h-pyrrole, 1-methyl,pyrrole, 1-methyl,methylpyrrole,n-methylpyrrol,1-methylpyrrol,unii-ng5gpn98zg,ccris 2934 PubChem CID: 7304 IUPAC Name: 1-methylpyrrole SMILES: CN1C=CC=C1
| PubChem CID | 7304 |
|---|---|
| CAS | 96-54-8 |
| Molecular Weight (g/mol) | 81.118 |
| MDL Number | MFCD00005345 |
| SMILES | CN1C=CC=C1 |
| Synonym | 1-methyl-1h-pyrrole,n-methylpyrrole,n-methyl pyrrole,1h-pyrrole, 1-methyl,pyrrole, 1-methyl,methylpyrrole,n-methylpyrrol,1-methylpyrrol,unii-ng5gpn98zg,ccris 2934 |
| IUPAC Name | 1-methylpyrrole |
| InChI Key | OXHNLMTVIGZXSG-UHFFFAOYSA-N |
| Molecular Formula | C5H7N |
3-Methyl-4-phenyl-1H-pyrazole, 97%
CAS: 13788-84-6 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00051752 InChI Key: XTXZCNATVCIKTR-UHFFFAOYSA-N Synonym: 3-methyl-4-phenyl-1h-pyrazole,3-methyl-4-phenylpyrazole,3-methyl-4-phenylpyrazol,3-methyl-4-phenyl-2h-pyrazole,acmc-1brbb,maybridge1_003313,5-methyl-4-phenylpyrazole,pyrazole-based inhibitor 1,3-methyl-4-phenyl-1h-pyrazol,4-phenyl-5-methyl-1h-pyrazole PubChem CID: 139601 IUPAC Name: 5-methyl-4-phenyl-1H-pyrazole SMILES: CC1=C(C=NN1)C1=CC=CC=C1
| PubChem CID | 139601 |
|---|---|
| CAS | 13788-84-6 |
| Molecular Weight (g/mol) | 158.20 |
| MDL Number | MFCD00051752 |
| SMILES | CC1=C(C=NN1)C1=CC=CC=C1 |
| Synonym | 3-methyl-4-phenyl-1h-pyrazole,3-methyl-4-phenylpyrazole,3-methyl-4-phenylpyrazol,3-methyl-4-phenyl-2h-pyrazole,acmc-1brbb,maybridge1_003313,5-methyl-4-phenylpyrazole,pyrazole-based inhibitor 1,3-methyl-4-phenyl-1h-pyrazol,4-phenyl-5-methyl-1h-pyrazole |
| IUPAC Name | 5-methyl-4-phenyl-1H-pyrazole |
| InChI Key | XTXZCNATVCIKTR-UHFFFAOYSA-N |
| Molecular Formula | C10H10N2 |
| CAS | 4653-11-6 |
|---|---|
| MDL Number | MFCD00005463 |
4-(1-Methyl-1H-pyrazol-3-yl)aniline, 97%, Thermo Scientific™
CAS: 916766-82-0 Molecular Formula: C10H11N3 Molecular Weight (g/mol): 173.219 MDL Number: MFCD03407387 InChI Key: WEFJHPBVOKVCLZ-UHFFFAOYSA-N PubChem CID: 18526375 IUPAC Name: 4-(1-methylpyrazol-3-yl)aniline SMILES: CN1C=CC(=N1)C2=CC=C(C=C2)N
| PubChem CID | 18526375 |
|---|---|
| CAS | 916766-82-0 |
| Molecular Weight (g/mol) | 173.219 |
| MDL Number | MFCD03407387 |
| SMILES | CN1C=CC(=N1)C2=CC=C(C=C2)N |
| IUPAC Name | 4-(1-methylpyrazol-3-yl)aniline |
| InChI Key | WEFJHPBVOKVCLZ-UHFFFAOYSA-N |
| Molecular Formula | C10H11N3 |
3-(5-Methyl-2-furyl)butyraldehyde, 99%
CAS: 31704-80-0 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00209519 InChI Key: PFLUFBMKOXFWSD-UHFFFAOYNA-N Synonym: 3-5-methyl-2-furyl butyraldehyde,3-5-methylfuran-2-yl butanal,3-5-methyl-2-furyl butanal,3-5-methyl-2-furanyl butanal,fema no. 3307,beta5-dimethyl-2-furanpropanal,2-furanpropanal, beta5-dimethyl,2-furanpropanal, beta,5-dimethyl,beta5-dimethyl-2-furanpropionaldehyde,2-furanpropanal, .beta.,5-dimethyl PubChem CID: 3578033 IUPAC Name: 3-(5-methylfuran-2-yl)butanal SMILES: CCC(C=O)C1=CC=C(C)O1
| PubChem CID | 3578033 |
|---|---|
| CAS | 31704-80-0 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00209519 |
| SMILES | CCC(C=O)C1=CC=C(C)O1 |
| Synonym | 3-5-methyl-2-furyl butyraldehyde,3-5-methylfuran-2-yl butanal,3-5-methyl-2-furyl butanal,3-5-methyl-2-furanyl butanal,fema no. 3307,beta5-dimethyl-2-furanpropanal,2-furanpropanal, beta5-dimethyl,2-furanpropanal, beta,5-dimethyl,beta5-dimethyl-2-furanpropionaldehyde,2-furanpropanal, .beta.,5-dimethyl |
| IUPAC Name | 3-(5-methylfuran-2-yl)butanal |
| InChI Key | PFLUFBMKOXFWSD-UHFFFAOYNA-N |
| Molecular Formula | C9H12O2 |
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-Methylbenzo[b]thiophene, 98%
CAS: 1455-18-1 Molecular Formula: C9H8S Molecular Weight (g/mol): 148.22 MDL Number: MFCD00040243 InChI Key: SEBRPHZZSLCDRQ-UHFFFAOYSA-N Synonym: 3-methylbenzo b thiophene,3-methylbenzothiophene,3-methylthianaphthene,benzo b thiophene, 3-methyl,3-methylthioindene,benzothiophene, 3-methyl,3-methyl-1-thiaindene,3-methylbenzylthiophene,3-methyl-benzo b thiophene PubChem CID: 73817 IUPAC Name: 3-methyl-1-benzothiophene SMILES: CC1=CSC2=CC=CC=C12
| PubChem CID | 73817 |
|---|---|
| CAS | 1455-18-1 |
| Molecular Weight (g/mol) | 148.22 |
| MDL Number | MFCD00040243 |
| SMILES | CC1=CSC2=CC=CC=C12 |
| Synonym | 3-methylbenzo b thiophene,3-methylbenzothiophene,3-methylthianaphthene,benzo b thiophene, 3-methyl,3-methylthioindene,benzothiophene, 3-methyl,3-methyl-1-thiaindene,3-methylbenzylthiophene,3-methyl-benzo b thiophene |
| IUPAC Name | 3-methyl-1-benzothiophene |
| InChI Key | SEBRPHZZSLCDRQ-UHFFFAOYSA-N |
| Molecular Formula | C9H8S |
Thiophene-2-thiol, contains dimer, 97% as monomer
CAS: 7774-74-5 Molecular Formula: C4H4S2 Molecular Weight (g/mol): 116.196 MDL Number: MFCD00051666 InChI Key: SWEDAZLCYJDAGW-UHFFFAOYSA-N Synonym: 2-mercaptothiophene,2-thiophenethiol,thiophenethiol,2-thienyl mercaptan,2-thienylthiol,2-thiophene thiol,unii-f3lb1437xq,2-sulphanylthiophene,alpha-thienyl mercaptan,thiophene thiol PubChem CID: 522674 IUPAC Name: thiophene-2-thiol SMILES: C1=CSC(=C1)S
| PubChem CID | 522674 |
|---|---|
| CAS | 7774-74-5 |
| Molecular Weight (g/mol) | 116.196 |
| MDL Number | MFCD00051666 |
| SMILES | C1=CSC(=C1)S |
| Synonym | 2-mercaptothiophene,2-thiophenethiol,thiophenethiol,2-thienyl mercaptan,2-thienylthiol,2-thiophene thiol,unii-f3lb1437xq,2-sulphanylthiophene,alpha-thienyl mercaptan,thiophene thiol |
| IUPAC Name | thiophene-2-thiol |
| InChI Key | SWEDAZLCYJDAGW-UHFFFAOYSA-N |
| Molecular Formula | C4H4S2 |
2,6-Di(tert-butyl)pyridine, 97%, Thermo Scientific™, Thermo Scientific™
CAS: 585-48-8 Molecular Formula: C13H21N Molecular Weight (g/mol): 191.318 MDL Number: MFCD00006306 InChI Key: UWKQJZCTQGMHKD-UHFFFAOYSA-N Synonym: 2,6-di-tert-butylpyridine,2,6-di tert-butyl pyridine,2,6-di-t-butylpyridine,unii-oi9lf0h4mm,2,6-di-t-butyl pyridine,pyridine, 2,6-bis 1,1-dimethylethyl,oi9lf0h4mm,2,6-di-tert-butyl pyridine,pyridine, 2,6-di-tert-butyl,pubchem16119 PubChem CID: 68510 IUPAC Name: 2,6-ditert-butylpyridine SMILES: CC(C)(C)C1=NC(=CC=C1)C(C)(C)C
| PubChem CID | 68510 |
|---|---|
| CAS | 585-48-8 |
| Molecular Weight (g/mol) | 191.318 |
| MDL Number | MFCD00006306 |
| SMILES | CC(C)(C)C1=NC(=CC=C1)C(C)(C)C |
| Synonym | 2,6-di-tert-butylpyridine,2,6-di tert-butyl pyridine,2,6-di-t-butylpyridine,unii-oi9lf0h4mm,2,6-di-t-butyl pyridine,pyridine, 2,6-bis 1,1-dimethylethyl,oi9lf0h4mm,2,6-di-tert-butyl pyridine,pyridine, 2,6-di-tert-butyl,pubchem16119 |
| IUPAC Name | 2,6-ditert-butylpyridine |
| InChI Key | UWKQJZCTQGMHKD-UHFFFAOYSA-N |
| Molecular Formula | C13H21N |
2,3,5-Trimethylfuran, 99%
CAS: 10504-04-8 Molecular Formula: C7H10O Molecular Weight (g/mol): 110.16 MDL Number: MFCD03931179 InChI Key: NJXZFRUNHWKHEC-UHFFFAOYSA-N Synonym: furan, 2,3,5-trimethyl,2,3,5-trimethyl-furan,furan,2,3,5-trimethyl PubChem CID: 517859 IUPAC Name: 2,3,5-trimethylfuran SMILES: CC1=CC(C)=C(C)O1
| PubChem CID | 517859 |
|---|---|
| CAS | 10504-04-8 |
| Molecular Weight (g/mol) | 110.16 |
| MDL Number | MFCD03931179 |
| SMILES | CC1=CC(C)=C(C)O1 |
| Synonym | furan, 2,3,5-trimethyl,2,3,5-trimethyl-furan,furan,2,3,5-trimethyl |
| IUPAC Name | 2,3,5-trimethylfuran |
| InChI Key | NJXZFRUNHWKHEC-UHFFFAOYSA-N |
| Molecular Formula | C7H10O |
3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile, 95%, Thermo Scientific™
CAS: 207909-05-5 Molecular Formula: C11H9N3 Molecular Weight (g/mol): 183.214 MDL Number: MFCD09065009 InChI Key: FLALRGXSUSNEAF-UHFFFAOYSA-N Synonym: 3-1-methyl-1h-pyrazol-3-yl benzonitrile,3-1-methylpyrazol-3-yl benzonitrile,benzonitrile, 3-1-methyl-1h-pyrazol-3-yl,3-1-methylpyrazol-3-yl benzenecarbonitrile PubChem CID: 10655058 IUPAC Name: 3-(1-methylpyrazol-3-yl)benzonitrile SMILES: CN1C=CC(=N1)C2=CC=CC(=C2)C#N
| PubChem CID | 10655058 |
|---|---|
| CAS | 207909-05-5 |
| Molecular Weight (g/mol) | 183.214 |
| MDL Number | MFCD09065009 |
| SMILES | CN1C=CC(=N1)C2=CC=CC(=C2)C#N |
| Synonym | 3-1-methyl-1h-pyrazol-3-yl benzonitrile,3-1-methylpyrazol-3-yl benzonitrile,benzonitrile, 3-1-methyl-1h-pyrazol-3-yl,3-1-methylpyrazol-3-yl benzenecarbonitrile |
| IUPAC Name | 3-(1-methylpyrazol-3-yl)benzonitrile |
| InChI Key | FLALRGXSUSNEAF-UHFFFAOYSA-N |
| Molecular Formula | C11H9N3 |