Organoheterocyclic compounds
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4-tert-Butylphthalic Anhydride 98.0+%, TCI America™
CAS: 32703-79-0 Molecular Formula: C12H12O3 Molecular Weight (g/mol): 204.23 MDL Number: MFCD00060127 InChI Key: YLJYVKLZVHWUCT-UHFFFAOYSA-N Synonym: 4-tert-butylphthalic anhydride,5-tert-butyl isobenzofuran-1,3-dione,1,3-isobenzofurandione, 5-1,1-dimethylethyl,4-t-butylphthalic anhydride,acmc-1ao20,4-t-butyl phthalic anhydride,4-t-butyl-phthalic anhydride,4-tert-butylphthalicanhydride,5-tert-butyl-2-benzo b furan-1,3-dione PubChem CID: 122930 IUPAC Name: 5-tert-butyl-1,3-dihydro-2-benzofuran-1,3-dione SMILES: CC(C)(C)C1=CC=C2C(=O)OC(=O)C2=C1
| PubChem CID | 122930 |
|---|---|
| CAS | 32703-79-0 |
| Molecular Weight (g/mol) | 204.23 |
| MDL Number | MFCD00060127 |
| SMILES | CC(C)(C)C1=CC=C2C(=O)OC(=O)C2=C1 |
| Synonym | 4-tert-butylphthalic anhydride,5-tert-butyl isobenzofuran-1,3-dione,1,3-isobenzofurandione, 5-1,1-dimethylethyl,4-t-butylphthalic anhydride,acmc-1ao20,4-t-butyl phthalic anhydride,4-t-butyl-phthalic anhydride,4-tert-butylphthalicanhydride,5-tert-butyl-2-benzo b furan-1,3-dione |
| IUPAC Name | 5-tert-butyl-1,3-dihydro-2-benzofuran-1,3-dione |
| InChI Key | YLJYVKLZVHWUCT-UHFFFAOYSA-N |
| Molecular Formula | C12H12O3 |
1,3-Dimethylimidazolium Iodide 98.0+%, TCI America™
CAS: 4333-62-4 Molecular Formula: C5H9IN2 Molecular Weight (g/mol): 224.045 MDL Number: MFCD00159685 InChI Key: ARSMIBSHEYKMJT-UHFFFAOYSA-M PubChem CID: 20334 ChEBI: CHEBI:61324 IUPAC Name: 1,3-dimethylimidazol-1-ium;iodide SMILES: CN1C=C[N+](=C1)C.[I-]
| PubChem CID | 20334 |
|---|---|
| CAS | 4333-62-4 |
| Molecular Weight (g/mol) | 224.045 |
| ChEBI | CHEBI:61324 |
| MDL Number | MFCD00159685 |
| SMILES | CN1C=C[N+](=C1)C.[I-] |
| IUPAC Name | 1,3-dimethylimidazol-1-ium;iodide |
| InChI Key | ARSMIBSHEYKMJT-UHFFFAOYSA-M |
| Molecular Formula | C5H9IN2 |
1,2:3,4-Di-O-isopropylidene-alpha-D-galactopyranose 92.0+%, TCI America™
CAS: 4064-06-6 Molecular Formula: C12H20O6 Molecular Weight (g/mol): 260.29 MDL Number: MFCD00063225 InChI Key: POORJMIIHXHXAV-UHFFFAOYNA-N Synonym: 1,2:3,4-di-o-isopropylidene-d-galactose,1,2:3,4-di-o-isopropylidene-,a-d-galactopyranose,1,2:3,4-bis-o-1-methylethylidene-,1s,6r,9s-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo 7.3.0.0 2 ,? dodecan-8-yl methanol PubChem CID: 70793572 IUPAC Name: [(3aR,5aS,8aS)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydro-3aH-di[1,3]dioxolo[4,5-a SMILES: CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)CO)C
| PubChem CID | 70793572 |
|---|---|
| CAS | 4064-06-6 |
| Molecular Weight (g/mol) | 260.29 |
| MDL Number | MFCD00063225 |
| SMILES | CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)CO)C |
| Synonym | 1,2:3,4-di-o-isopropylidene-d-galactose,1,2:3,4-di-o-isopropylidene-,a-d-galactopyranose,1,2:3,4-bis-o-1-methylethylidene-,1s,6r,9s-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo 7.3.0.0 2 ,? dodecan-8-yl methanol |
| IUPAC Name | [(3aR,5aS,8aS)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydro-3aH-di[1,3]dioxolo[4,5-a |
| InChI Key | POORJMIIHXHXAV-UHFFFAOYNA-N |
| Molecular Formula | C12H20O6 |
Diethyl (1,3-Dithian-2-yl)phosphonate 93.0+%, TCI America™
CAS: 62999-73-9 Molecular Formula: C8H17O3PS2 Molecular Weight (g/mol): 256.315 InChI Key: BGXBJZCFBVTFFP-UHFFFAOYSA-N Synonym: (1,3-Dithian-2-yl)phosphonic Acid Diethyl Ester PubChem CID: 10869064 IUPAC Name: 2-diethoxyphosphoryl-1,3-dithiane SMILES: CCOP(=O)(C1SCCCS1)OCC
| PubChem CID | 10869064 |
|---|---|
| CAS | 62999-73-9 |
| Molecular Weight (g/mol) | 256.315 |
| SMILES | CCOP(=O)(C1SCCCS1)OCC |
| Synonym | (1,3-Dithian-2-yl)phosphonic Acid Diethyl Ester |
| IUPAC Name | 2-diethoxyphosphoryl-1,3-dithiane |
| InChI Key | BGXBJZCFBVTFFP-UHFFFAOYSA-N |
| Molecular Formula | C8H17O3PS2 |
N4-(3-Bromophenyl)quinazoline-4,6-diamine 98.0+%, TCI America™
CAS: 169205-78-1 Molecular Formula: C14H11BrN4 Molecular Weight (g/mol): 315.17 MDL Number: MFCD09908082 InChI Key: IZQHULBHKPGOAP-UHFFFAOYSA-N PubChem CID: 5328042 IUPAC Name: N4-(3-bromophenyl)quinazoline-4,6-diamine SMILES: NC1=CC2=C(NC3=CC(Br)=CC=C3)N=CN=C2C=C1
| PubChem CID | 5328042 |
|---|---|
| CAS | 169205-78-1 |
| Molecular Weight (g/mol) | 315.17 |
| MDL Number | MFCD09908082 |
| SMILES | NC1=CC2=C(NC3=CC(Br)=CC=C3)N=CN=C2C=C1 |
| IUPAC Name | N4-(3-bromophenyl)quinazoline-4,6-diamine |
| InChI Key | IZQHULBHKPGOAP-UHFFFAOYSA-N |
| Molecular Formula | C14H11BrN4 |
2-Hydrazinoquinoline 98.0+%, TCI America™
CAS: 15793-77-8 Molecular Formula: C9H9N3 Molecular Weight (g/mol): 159.19 MDL Number: MFCD00041860 InChI Key: QMVCLSHKMIGEFN-UHFFFAOYSA-N PubChem CID: 85111 IUPAC Name: 2-hydrazinylquinoline SMILES: NNC1=CC=C2C=CC=CC2=N1
| PubChem CID | 85111 |
|---|---|
| CAS | 15793-77-8 |
| Molecular Weight (g/mol) | 159.19 |
| MDL Number | MFCD00041860 |
| SMILES | NNC1=CC=C2C=CC=CC2=N1 |
| IUPAC Name | 2-hydrazinylquinoline |
| InChI Key | QMVCLSHKMIGEFN-UHFFFAOYSA-N |
| Molecular Formula | C9H9N3 |
2,3-Dihydro-7-azaindole 98.0+%, TCI America™
CAS: 10592-27-5 Molecular Formula: C7H8N2 Molecular Weight (g/mol): 120.155 MDL Number: MFCD06659751 InChI Key: ZFFYPGZDXUPKNK-UHFFFAOYSA-N Synonym: 2,3-dihydro-1h-pyrrolo 2,3-b pyridine,7-azaindoline,2,3-dihydro-7-azaindole,1h,2h,3h-pyrrolo 2,3-b pyridine,1h-pyrrolo 2,3-b pyridine, 2,3-dihydro,2,3-dihydro-1h-pyrrolo 2,3-b pyridine 7-azaindoline,pubchem18022,acmc-2098hy,ksc492q5f PubChem CID: 10011889 IUPAC Name: 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine SMILES: C1CNC2=C1C=CC=N2
| PubChem CID | 10011889 |
|---|---|
| CAS | 10592-27-5 |
| Molecular Weight (g/mol) | 120.155 |
| MDL Number | MFCD06659751 |
| SMILES | C1CNC2=C1C=CC=N2 |
| Synonym | 2,3-dihydro-1h-pyrrolo 2,3-b pyridine,7-azaindoline,2,3-dihydro-7-azaindole,1h,2h,3h-pyrrolo 2,3-b pyridine,1h-pyrrolo 2,3-b pyridine, 2,3-dihydro,2,3-dihydro-1h-pyrrolo 2,3-b pyridine 7-azaindoline,pubchem18022,acmc-2098hy,ksc492q5f |
| IUPAC Name | 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine |
| InChI Key | ZFFYPGZDXUPKNK-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2 |
2-Ethynylthiophene 96.0+%, TCI America™
CAS: 4298-52-6 Molecular Formula: C6H4S Molecular Weight (g/mol): 108.16 MDL Number: MFCD03425129 InChI Key: LWISLHRIEATKTM-UHFFFAOYSA-N Synonym: 2-ethynyl-thiophene,2-thienylethine,2-thiophenylacetylene,2-thienyl acetylene,pubchem16123,thien-2-yl acetylene,thiophene, 2-ethynyl,thiophen-2-yl acetylene,2-ethynylthiophene,acmc-209js9 PubChem CID: 5246258 IUPAC Name: 2-ethynylthiophene SMILES: C#CC1=CC=CS1
| PubChem CID | 5246258 |
|---|---|
| CAS | 4298-52-6 |
| Molecular Weight (g/mol) | 108.16 |
| MDL Number | MFCD03425129 |
| SMILES | C#CC1=CC=CS1 |
| Synonym | 2-ethynyl-thiophene,2-thienylethine,2-thiophenylacetylene,2-thienyl acetylene,pubchem16123,thien-2-yl acetylene,thiophene, 2-ethynyl,thiophen-2-yl acetylene,2-ethynylthiophene,acmc-209js9 |
| IUPAC Name | 2-ethynylthiophene |
| InChI Key | LWISLHRIEATKTM-UHFFFAOYSA-N |
| Molecular Formula | C6H4S |
2,4-Diamino-6-methoxypyrimidine 98.0+%, TCI America™
CAS: 3270-97-1 Molecular Formula: C5H8N4O Molecular Weight (g/mol): 140.146 MDL Number: MFCD02091088 InChI Key: OSBMJXWHJWWZJP-UHFFFAOYSA-N PubChem CID: 816925 IUPAC Name: 6-methoxypyrimidine-2,4-diamine SMILES: COC1=NC(=NC(=C1)N)N
| PubChem CID | 816925 |
|---|---|
| CAS | 3270-97-1 |
| Molecular Weight (g/mol) | 140.146 |
| MDL Number | MFCD02091088 |
| SMILES | COC1=NC(=NC(=C1)N)N |
| IUPAC Name | 6-methoxypyrimidine-2,4-diamine |
| InChI Key | OSBMJXWHJWWZJP-UHFFFAOYSA-N |
| Molecular Formula | C5H8N4O |
N6-Benzoyladenine 98.0+%, TCI America™
CAS: 4005-49-6 Molecular Formula: C12H9N5O Molecular Weight (g/mol): 239.238 MDL Number: MFCD00037927 InChI Key: QQJXZVKXNSFHRI-UHFFFAOYSA-N Synonym: n6-benzoyladenine,n-7h-purin-6-yl benzamide,n-benzoylaminopurine,n-9h-purin-6-yl benzamide,6-benzoylaminopurine,benzamide, n-1h-purin-6-yl,6-benzamidopurine,adenine,6n-benzoyl,phenyl-n-purin-6-ylcarboxamide,n-benzoyladenine PubChem CID: 97075 IUPAC Name: N-(7H-purin-6-yl)benzamide SMILES: C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2NC=N3
| PubChem CID | 97075 |
|---|---|
| CAS | 4005-49-6 |
| Molecular Weight (g/mol) | 239.238 |
| MDL Number | MFCD00037927 |
| SMILES | C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2NC=N3 |
| Synonym | n6-benzoyladenine,n-7h-purin-6-yl benzamide,n-benzoylaminopurine,n-9h-purin-6-yl benzamide,6-benzoylaminopurine,benzamide, n-1h-purin-6-yl,6-benzamidopurine,adenine,6n-benzoyl,phenyl-n-purin-6-ylcarboxamide,n-benzoyladenine |
| IUPAC Name | N-(7H-purin-6-yl)benzamide |
| InChI Key | QQJXZVKXNSFHRI-UHFFFAOYSA-N |
| Molecular Formula | C12H9N5O |
2-Ethyl-2-imidazoline 98.0+%, TCI America™
CAS: 930-52-9 Molecular Formula: C5H10N2 Molecular Weight (g/mol): 98.15 MDL Number: MFCD00242607 InChI Key: QUPKCFBHJFNUEW-UHFFFAOYSA-N PubChem CID: 13590 IUPAC Name: 2-ethyl-4,5-dihydro-1H-imidazole SMILES: CCC1=NCCN1
| PubChem CID | 13590 |
|---|---|
| CAS | 930-52-9 |
| Molecular Weight (g/mol) | 98.15 |
| MDL Number | MFCD00242607 |
| SMILES | CCC1=NCCN1 |
| IUPAC Name | 2-ethyl-4,5-dihydro-1H-imidazole |
| InChI Key | QUPKCFBHJFNUEW-UHFFFAOYSA-N |
| Molecular Formula | C5H10N2 |
OAC1 98.0+%, TCI America™
CAS: 300586-90-7 Molecular Formula: C14H11N3O Molecular Weight (g/mol): 237.26 MDL Number: MFCD00572806 InChI Key: HWJRIFZDXJKJJN-UHFFFAOYSA-N Synonym: oac-1,n-1h-pyrrolo 2,3-c pyridin-5-ylbenzamide,n-1h-pyrrolo 2,3-c pyridin-5-yl benzamide,cambridge id 5236727,oct4-activating compound 1,benzamide,n-1h-pyrrolo 2,3-c pyridin-5-yl,benzamide, n-1h-pyrrolo 2,3-c pyridin-5-yl,n-1h-pyrrolo 2,3-c pyridin-5-yl-benzamide PubChem CID: 789882 IUPAC Name: N-{1H-pyrrolo[2,3-c]pyridin-5-yl}benzamide SMILES: O=C(NC1=NC=C2NC=CC2=C1)C1=CC=CC=C1
| PubChem CID | 789882 |
|---|---|
| CAS | 300586-90-7 |
| Molecular Weight (g/mol) | 237.26 |
| MDL Number | MFCD00572806 |
| SMILES | O=C(NC1=NC=C2NC=CC2=C1)C1=CC=CC=C1 |
| Synonym | oac-1,n-1h-pyrrolo 2,3-c pyridin-5-ylbenzamide,n-1h-pyrrolo 2,3-c pyridin-5-yl benzamide,cambridge id 5236727,oct4-activating compound 1,benzamide,n-1h-pyrrolo 2,3-c pyridin-5-yl,benzamide, n-1h-pyrrolo 2,3-c pyridin-5-yl,n-1h-pyrrolo 2,3-c pyridin-5-yl-benzamide |
| IUPAC Name | N-{1H-pyrrolo[2,3-c]pyridin-5-yl}benzamide |
| InChI Key | HWJRIFZDXJKJJN-UHFFFAOYSA-N |
| Molecular Formula | C14H11N3O |
4,5-Diaminopyrimidine 98.0+%, TCI America™
CAS: 13754-19-3 Molecular Formula: C4H6N4 Molecular Weight (g/mol): 110.12 MDL Number: MFCD00006113 InChI Key: PPAULTVPKLVLII-UHFFFAOYSA-N Synonym: 4,5-diaminopyrimidine,4,5-pyrimidinediamine,pyrimidine, 4,5-diamino,4,5-pyrimidinediamine 9ci,pubchem7057,pyrimidine,5-diamino,4,5 diamino pyrimidine,4,5-diamino-pyrimidine,acmc-1cfbq,4,5-diaminopyrimidiine PubChem CID: 83703 IUPAC Name: pyrimidine-4,5-diamine SMILES: NC1=CN=CN=C1N
| PubChem CID | 83703 |
|---|---|
| CAS | 13754-19-3 |
| Molecular Weight (g/mol) | 110.12 |
| MDL Number | MFCD00006113 |
| SMILES | NC1=CN=CN=C1N |
| Synonym | 4,5-diaminopyrimidine,4,5-pyrimidinediamine,pyrimidine, 4,5-diamino,4,5-pyrimidinediamine 9ci,pubchem7057,pyrimidine,5-diamino,4,5 diamino pyrimidine,4,5-diamino-pyrimidine,acmc-1cfbq,4,5-diaminopyrimidiine |
| IUPAC Name | pyrimidine-4,5-diamine |
| InChI Key | PPAULTVPKLVLII-UHFFFAOYSA-N |
| Molecular Formula | C4H6N4 |
3-Bromo-2-nitropyridine 98.0+%, TCI America™
CAS: 54231-33-3 Molecular Formula: C5H3BrN2O2 Molecular Weight (g/mol): 203.00 MDL Number: MFCD00955614 InChI Key: WFNISJZUJCKTLT-UHFFFAOYSA-N Synonym: 2-nitro-3-bromopyridine,pyridine, 3-bromo-2-nitro,3-bromo-2-nitro-pyridine,pubchem4502,pubchem10100,acmc-1ay9l,#,ksc494a7n,3-bromo-2-nitriopyridine PubChem CID: 594044 IUPAC Name: 3-bromo-2-nitropyridine SMILES: [O-][N+](=O)C1=NC=CC=C1Br
| PubChem CID | 594044 |
|---|---|
| CAS | 54231-33-3 |
| Molecular Weight (g/mol) | 203.00 |
| MDL Number | MFCD00955614 |
| SMILES | [O-][N+](=O)C1=NC=CC=C1Br |
| Synonym | 2-nitro-3-bromopyridine,pyridine, 3-bromo-2-nitro,3-bromo-2-nitro-pyridine,pubchem4502,pubchem10100,acmc-1ay9l,#,ksc494a7n,3-bromo-2-nitriopyridine |
| IUPAC Name | 3-bromo-2-nitropyridine |
| InChI Key | WFNISJZUJCKTLT-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrN2O2 |
4-Amino-2,6-dichloropyrimidine 98.0+%, TCI America™
CAS: 10132-07-7 Molecular Formula: C4H3Cl2N3 Molecular Weight (g/mol): 163.989 MDL Number: MFCD00038015 InChI Key: UPVBKNZVOJNQKE-UHFFFAOYSA-N Synonym: 4-amino-2,6-dichloropyrimidine,6-amino-2,4-dichloropyrimidine,4-pyrimidinamine, 2,6-dichloro,2,4-dichloro-6-aminopyrimidine,2,6-dichloro-4-aminopyrimidine,2,4-dichloro-6-amino pyrimidine,2,6-dichloro-pyrimidin-4-ylamine,2,6-dichloropyrimidine-4-ylamine,2,6-dichlorpyrimidin-4-amin,pyrimidine, 4-amino-2,6-dichloro PubChem CID: 82387 IUPAC Name: 2,6-dichloropyrimidin-4-amine SMILES: C1=C(N=C(N=C1Cl)Cl)N
| PubChem CID | 82387 |
|---|---|
| CAS | 10132-07-7 |
| Molecular Weight (g/mol) | 163.989 |
| MDL Number | MFCD00038015 |
| SMILES | C1=C(N=C(N=C1Cl)Cl)N |
| Synonym | 4-amino-2,6-dichloropyrimidine,6-amino-2,4-dichloropyrimidine,4-pyrimidinamine, 2,6-dichloro,2,4-dichloro-6-aminopyrimidine,2,6-dichloro-4-aminopyrimidine,2,4-dichloro-6-amino pyrimidine,2,6-dichloro-pyrimidin-4-ylamine,2,6-dichloropyrimidine-4-ylamine,2,6-dichlorpyrimidin-4-amin,pyrimidine, 4-amino-2,6-dichloro |
| IUPAC Name | 2,6-dichloropyrimidin-4-amine |
| InChI Key | UPVBKNZVOJNQKE-UHFFFAOYSA-N |
| Molecular Formula | C4H3Cl2N3 |