Organoheterocyclic compounds
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2-Isobutyl-3-methylpyrazine 98.0+%, TCI America™
CAS: 13925-06-9 Molecular Formula: C9H14N2 Molecular Weight (g/mol): 150.225 MDL Number: MFCD00059770 InChI Key: ZHMIODDNZRIENW-UHFFFAOYSA-N Synonym: 2-Methyl-3-isobutylpyrazine PubChem CID: 26333 IUPAC Name: 2-methyl-3-(2-methylpropyl)pyrazine SMILES: CC1=NC=CN=C1CC(C)C
| PubChem CID | 26333 |
|---|---|
| CAS | 13925-06-9 |
| Molecular Weight (g/mol) | 150.225 |
| MDL Number | MFCD00059770 |
| SMILES | CC1=NC=CN=C1CC(C)C |
| Synonym | 2-Methyl-3-isobutylpyrazine |
| IUPAC Name | 2-methyl-3-(2-methylpropyl)pyrazine |
| InChI Key | ZHMIODDNZRIENW-UHFFFAOYSA-N |
| Molecular Formula | C9H14N2 |
4-Hexylthiophene-2-carbonitrile 95.0+%, TCI America™
CAS: 1224430-39-0 Molecular Formula: C11H15NS Molecular Weight (g/mol): 193.308 MDL Number: MFCD18413940 InChI Key: LFLOKABSZNAYLC-UHFFFAOYSA-N Synonym: 2-Cyano-4-hexylthiophene PubChem CID: 58420906 IUPAC Name: 4-hexylthiophene-2-carbonitrile SMILES: CCCCCCC1=CSC(=C1)C#N
| PubChem CID | 58420906 |
|---|---|
| CAS | 1224430-39-0 |
| Molecular Weight (g/mol) | 193.308 |
| MDL Number | MFCD18413940 |
| SMILES | CCCCCCC1=CSC(=C1)C#N |
| Synonym | 2-Cyano-4-hexylthiophene |
| IUPAC Name | 4-hexylthiophene-2-carbonitrile |
| InChI Key | LFLOKABSZNAYLC-UHFFFAOYSA-N |
| Molecular Formula | C11H15NS |
Atorvastatin Lactone 95.0+%, TCI America™
CAS: 125995-03-1 Molecular Formula: C33H33FN2O4 Molecular Weight (g/mol): 540.635 MDL Number: MFCD00899262 InChI Key: OUCSEDFVYPBLLF-KAYWLYCHSA-N Synonym: 5-(4-Fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl]-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide, Atorvastatin Related Compound H PubChem CID: 6483036 IUPAC Name: 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide SMILES: CC(C)C1=C(C(=C(N1CCC2CC(CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5
| PubChem CID | 6483036 |
|---|---|
| CAS | 125995-03-1 |
| Molecular Weight (g/mol) | 540.635 |
| MDL Number | MFCD00899262 |
| SMILES | CC(C)C1=C(C(=C(N1CCC2CC(CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5 |
| Synonym | 5-(4-Fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl]-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide, Atorvastatin Related Compound H |
| IUPAC Name | 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide |
| InChI Key | OUCSEDFVYPBLLF-KAYWLYCHSA-N |
| Molecular Formula | C33H33FN2O4 |
1-Phenylpyrrole 98.0+%, TCI America™
CAS: 635-90-5 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.19 MDL Number: MFCD00005343 InChI Key: GEZGAZKEOUKLBR-UHFFFAOYSA-N Synonym: 1-phenyl-1h-pyrrole,n-phenylpyrrole,pyrrole, 1-phenyl,1h-pyrrole, 1-phenyl,unii-3od6n6545h,chembl84459,1-phenylpyrrol,acmc-209ngl,1-phenylpyrrole,1-phenyl-1h-pyrrole # PubChem CID: 12480 IUPAC Name: 1-phenyl-1H-pyrrole SMILES: C1=CN(C=C1)C1=CC=CC=C1
| PubChem CID | 12480 |
|---|---|
| CAS | 635-90-5 |
| Molecular Weight (g/mol) | 143.19 |
| MDL Number | MFCD00005343 |
| SMILES | C1=CN(C=C1)C1=CC=CC=C1 |
| Synonym | 1-phenyl-1h-pyrrole,n-phenylpyrrole,pyrrole, 1-phenyl,1h-pyrrole, 1-phenyl,unii-3od6n6545h,chembl84459,1-phenylpyrrol,acmc-209ngl,1-phenylpyrrole,1-phenyl-1h-pyrrole # |
| IUPAC Name | 1-phenyl-1H-pyrrole |
| InChI Key | GEZGAZKEOUKLBR-UHFFFAOYSA-N |
| Molecular Formula | C10H9N |
1-(4-Nitrophenyl)pyrrole 98.0+%, TCI America™
CAS: 4533-42-0 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.186 MDL Number: MFCD00119340 InChI Key: PWCFKNYSCGRNRW-UHFFFAOYSA-N PubChem CID: 272431 IUPAC Name: 1-(4-nitrophenyl)pyrrole SMILES: C1=CN(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]
| PubChem CID | 272431 |
|---|---|
| CAS | 4533-42-0 |
| Molecular Weight (g/mol) | 188.186 |
| MDL Number | MFCD00119340 |
| SMILES | C1=CN(C=C1)C2=CC=C(C=C2)[N+](=O)[O-] |
| IUPAC Name | 1-(4-nitrophenyl)pyrrole |
| InChI Key | PWCFKNYSCGRNRW-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O2 |
Proflavine Hemisulfate Hydrate 97.0+%, TCI America™
CAS: 1811-28-5 Molecular Formula: C13H15N3O5S Molecular Weight (g/mol): 325.339 MDL Number: MFCD00013150 InChI Key: MSAVMVWXUVKHBI-UHFFFAOYSA-N Synonym: 3,6-Diaminoacridinium Monohydrogen Sulfate PubChem CID: 51062910 IUPAC Name: acridine-3,6-diamine;sulfuric acid;hydrate SMILES: C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.O.OS(=O)(=O)O
| PubChem CID | 51062910 |
|---|---|
| CAS | 1811-28-5 |
| Molecular Weight (g/mol) | 325.339 |
| MDL Number | MFCD00013150 |
| SMILES | C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.O.OS(=O)(=O)O |
| Synonym | 3,6-Diaminoacridinium Monohydrogen Sulfate |
| IUPAC Name | acridine-3,6-diamine;sulfuric acid;hydrate |
| InChI Key | MSAVMVWXUVKHBI-UHFFFAOYSA-N |
| Molecular Formula | C13H15N3O5S |
3-Heptylpyrrole 97.0+%, TCI America™
CAS: 878-11-5 Molecular Formula: C11H19N Molecular Weight (g/mol): 165.28 MDL Number: MFCD00191444 InChI Key: OVBAZQHUSHSARW-UHFFFAOYSA-N PubChem CID: 258374 IUPAC Name: 3-heptyl-1H-pyrrole SMILES: CCCCCCCC1=CNC=C1
| PubChem CID | 258374 |
|---|---|
| CAS | 878-11-5 |
| Molecular Weight (g/mol) | 165.28 |
| MDL Number | MFCD00191444 |
| SMILES | CCCCCCCC1=CNC=C1 |
| IUPAC Name | 3-heptyl-1H-pyrrole |
| InChI Key | OVBAZQHUSHSARW-UHFFFAOYSA-N |
| Molecular Formula | C11H19N |
3-Thiopheneethanol 97.0+%, TCI America™
CAS: 13781-67-4 Molecular Formula: C6H8OS Molecular Weight (g/mol): 128.19 MDL Number: MFCD00009766 InChI Key: YYPNNBPPDFTQFX-UHFFFAOYSA-N Synonym: 2-thiophen-3-yl ethanol,3-thiopheneethanol,2-3-thienyl ethanol,thiophene-3-ethanol,3-2-hydroxyethyl thiophene,2-thiophen-3-yl ethan-1-ol,2-thien-3-yl ethan-1-ol,3-thiophene-ethanol,pubchem20415 PubChem CID: 83731 IUPAC Name: 2-(thiophen-3-yl)ethan-1-ol SMILES: OCCC1=CSC=C1
| PubChem CID | 83731 |
|---|---|
| CAS | 13781-67-4 |
| Molecular Weight (g/mol) | 128.19 |
| MDL Number | MFCD00009766 |
| SMILES | OCCC1=CSC=C1 |
| Synonym | 2-thiophen-3-yl ethanol,3-thiopheneethanol,2-3-thienyl ethanol,thiophene-3-ethanol,3-2-hydroxyethyl thiophene,2-thiophen-3-yl ethan-1-ol,2-thien-3-yl ethan-1-ol,3-thiophene-ethanol,pubchem20415 |
| IUPAC Name | 2-(thiophen-3-yl)ethan-1-ol |
| InChI Key | YYPNNBPPDFTQFX-UHFFFAOYSA-N |
| Molecular Formula | C6H8OS |
2-Hexylthiophene 98.0+%, TCI America™
CAS: 18794-77-9 Molecular Formula: C10H16S Molecular Weight (g/mol): 168.30 MDL Number: MFCD00022535 InChI Key: QZVHYFUVMQIGGM-UHFFFAOYSA-N Synonym: thiophene, 2-hexyl,2-n-hexylthiophene,2-hexyl-thiophene,hexylthiophene,thiophene, hexyl,2-hexyl thiophene,2-? hexylthiophene,2-hexylthiophene,ksc179k7d PubChem CID: 87793 IUPAC Name: 2-hexylthiophene SMILES: CCCCCCC1=CC=CS1
| PubChem CID | 87793 |
|---|---|
| CAS | 18794-77-9 |
| Molecular Weight (g/mol) | 168.30 |
| MDL Number | MFCD00022535 |
| SMILES | CCCCCCC1=CC=CS1 |
| Synonym | thiophene, 2-hexyl,2-n-hexylthiophene,2-hexyl-thiophene,hexylthiophene,thiophene, hexyl,2-hexyl thiophene,2-? hexylthiophene,2-hexylthiophene,ksc179k7d |
| IUPAC Name | 2-hexylthiophene |
| InChI Key | QZVHYFUVMQIGGM-UHFFFAOYSA-N |
| Molecular Formula | C10H16S |
| PubChem CID | 2734358 |
|---|---|
| CAS | 55552-70-0 |
| MDL Number | MFCD01319007 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| TSCA | No |
| InChI Key | CYEFKCRAAGLNHW-UHFFFAOYSA-N |
| Molecular Formula | C4H5BO3 |
| Formula Weight | 111.89 |
Benzo[b]thiophene 97.0+%, TCI America™
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 |
Pyridine - Sulfur Trioxide Complex 95.0+%, TCI America™
CAS: 26412-87-3 Molecular Formula: C5H5NO3S Molecular Weight (g/mol): 159.16 MDL Number: MFCD00012437 InChI Key: UDYFLDICVHJSOY-UHFFFAOYSA-N Synonym: pyridine sulfur trioxide,sulfur trioxide pyridine complex,pyridine; sulfur trioxide,pyridine sulfotrioxide,pyridine compound with sulfur trioxide 1:1,sulfur trioxide, compd. with pyridine,pyridine-sulfur trioxide complex,active sulfure trioxide,sulfur trioxide-pyridine,pyridine-sulfur trioxide PubChem CID: 168533 IUPAC Name: pyridine; sulfonylideneoxidane SMILES: O=S(=O)=O.C1=CC=NC=C1
| PubChem CID | 168533 |
|---|---|
| CAS | 26412-87-3 |
| Molecular Weight (g/mol) | 159.16 |
| MDL Number | MFCD00012437 |
| SMILES | O=S(=O)=O.C1=CC=NC=C1 |
| Synonym | pyridine sulfur trioxide,sulfur trioxide pyridine complex,pyridine; sulfur trioxide,pyridine sulfotrioxide,pyridine compound with sulfur trioxide 1:1,sulfur trioxide, compd. with pyridine,pyridine-sulfur trioxide complex,active sulfure trioxide,sulfur trioxide-pyridine,pyridine-sulfur trioxide |
| IUPAC Name | pyridine; sulfonylideneoxidane |
| InChI Key | UDYFLDICVHJSOY-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO3S |
2-(Furfurylthio)ethylamine 98.0+%, TCI America™
CAS: 36415-21-1 Molecular Formula: C7H11NOS Molecular Weight (g/mol): 157.231 MDL Number: MFCD01075029 InChI Key: VSPDYEHKAMKDNW-UHFFFAOYSA-N Synonym: (2-Aminoethylthio)methylfuran PubChem CID: 118970 IUPAC Name: 2-(furan-2-ylmethylsulfanyl)ethanamine SMILES: C1=COC(=C1)CSCCN
| PubChem CID | 118970 |
|---|---|
| CAS | 36415-21-1 |
| Molecular Weight (g/mol) | 157.231 |
| MDL Number | MFCD01075029 |
| SMILES | C1=COC(=C1)CSCCN |
| Synonym | (2-Aminoethylthio)methylfuran |
| IUPAC Name | 2-(furan-2-ylmethylsulfanyl)ethanamine |
| InChI Key | VSPDYEHKAMKDNW-UHFFFAOYSA-N |
| Molecular Formula | C7H11NOS |
6-Isopropylquinoline 98.0+%, TCI America™
CAS: 135-79-5 Molecular Formula: C12H13N Molecular Weight (g/mol): 171.243 MDL Number: MFCD00047615 InChI Key: NKCQEIXYLHACJC-UHFFFAOYSA-N Synonym: 6-isopropylquinoline,quinoline, 6-1-methylethyl,6-propan-2-yl quinoline,unii-8ge3n8wv7y,6-1-methylethyl quinoline,8ge3n8wv7y,6-isopropyl quinoline,pubchem5907,acmc-1bt55,dsstox_cid_27465 PubChem CID: 67285 IUPAC Name: 6-propan-2-ylquinoline SMILES: CC(C)C1=CC2=C(C=C1)N=CC=C2
| PubChem CID | 67285 |
|---|---|
| CAS | 135-79-5 |
| Molecular Weight (g/mol) | 171.243 |
| MDL Number | MFCD00047615 |
| SMILES | CC(C)C1=CC2=C(C=C1)N=CC=C2 |
| Synonym | 6-isopropylquinoline,quinoline, 6-1-methylethyl,6-propan-2-yl quinoline,unii-8ge3n8wv7y,6-1-methylethyl quinoline,8ge3n8wv7y,6-isopropyl quinoline,pubchem5907,acmc-1bt55,dsstox_cid_27465 |
| IUPAC Name | 6-propan-2-ylquinoline |
| InChI Key | NKCQEIXYLHACJC-UHFFFAOYSA-N |
| Molecular Formula | C12H13N |
3-Hexadecylthiophene 97.0+%, TCI America™
CAS: 119269-24-8 Molecular Formula: C20H36S Molecular Weight (g/mol): 308.57 MDL Number: MFCD07368973 InChI Key: FRVZSODZVJPMKO-UHFFFAOYSA-N Synonym: 3-n-hexadecylthiophene,thiophene, 3-hexadecyl,3-hexadecyl-thiophene,ksc173e6j,acmc-1c275 PubChem CID: 2769638 IUPAC Name: 3-hexadecylthiophene SMILES: CCCCCCCCCCCCCCCCC1=CSC=C1
| PubChem CID | 2769638 |
|---|---|
| CAS | 119269-24-8 |
| Molecular Weight (g/mol) | 308.57 |
| MDL Number | MFCD07368973 |
| SMILES | CCCCCCCCCCCCCCCCC1=CSC=C1 |
| Synonym | 3-n-hexadecylthiophene,thiophene, 3-hexadecyl,3-hexadecyl-thiophene,ksc173e6j,acmc-1c275 |
| IUPAC Name | 3-hexadecylthiophene |
| InChI Key | FRVZSODZVJPMKO-UHFFFAOYSA-N |
| Molecular Formula | C20H36S |