Organoheterocyclic compounds
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4-chlorotetrahydropyran, 96%
CAS: 1768-64-5 Molecular Formula: C5H9ClO Molecular Weight (g/mol): 120.58 InChI Key: DHRSKOBIDIDMJZ-UHFFFAOYSA-N Synonym: 4-chlorotetrahydropyran,4-chlorotetrahydro-2h-pyran,2h-pyran, 4-chlorotetrahydro,4-chloro-tetrahydro-pyran,4-chloro-tetrahydro-2h-pyran,4-chloranyloxane,4-chlorotetrapyran,4-chloro-tetrahydropyran,acmc-1bvar,bromomethylpentafluorobenzene PubChem CID: 137202 IUPAC Name: 4-chlorooxane SMILES: C1COCCC1Cl
| PubChem CID | 137202 |
|---|---|
| CAS | 1768-64-5 |
| Molecular Weight (g/mol) | 120.58 |
| SMILES | C1COCCC1Cl |
| Synonym | 4-chlorotetrahydropyran,4-chlorotetrahydro-2h-pyran,2h-pyran, 4-chlorotetrahydro,4-chloro-tetrahydro-pyran,4-chloro-tetrahydro-2h-pyran,4-chloranyloxane,4-chlorotetrapyran,4-chloro-tetrahydropyran,acmc-1bvar,bromomethylpentafluorobenzene |
| IUPAC Name | 4-chlorooxane |
| InChI Key | DHRSKOBIDIDMJZ-UHFFFAOYSA-N |
| Molecular Formula | C5H9ClO |
3-Bromo-2-hydroxy-5-(trifluoromethyl)pyridine, 97%, Thermo Scientific™
CAS: 76041-73-1 Molecular Formula: C6H3BrF3NO Molecular Weight (g/mol): 241.99 MDL Number: MFCD02691223 InChI Key: UWHKLLYQUQPOQK-UHFFFAOYSA-N Synonym: 3-bromo-5-trifluoromethyl pyridin-2-ol,3-bromo-2-hydroxy-5-trifluoromethyl pyridine,3-bromo-2-hydroxy-5-trifluoromethylpyridine,3-bromo-5-trifluoromethyl pyridin-2 1h-one,3-bromo-5-trifluoromethyl pyridine-2-ol,3-bromo-5-trifluoromethyl-2-pyridinol,abbypharma ap-12-5330,2 1h-pyridinone, 3-bromo-5-trifluoromethyl,3-bromo-5-trifluoromethyl-1h-pyridin-2-one,pubchem14531 PubChem CID: 13491775 IUPAC Name: 3-bromo-5-(trifluoromethyl)-1H-pyridin-2-one SMILES: C1=C(C(=O)NC=C1C(F)(F)F)Br
| PubChem CID | 13491775 |
|---|---|
| CAS | 76041-73-1 |
| Molecular Weight (g/mol) | 241.99 |
| MDL Number | MFCD02691223 |
| SMILES | C1=C(C(=O)NC=C1C(F)(F)F)Br |
| Synonym | 3-bromo-5-trifluoromethyl pyridin-2-ol,3-bromo-2-hydroxy-5-trifluoromethyl pyridine,3-bromo-2-hydroxy-5-trifluoromethylpyridine,3-bromo-5-trifluoromethyl pyridin-2 1h-one,3-bromo-5-trifluoromethyl pyridine-2-ol,3-bromo-5-trifluoromethyl-2-pyridinol,abbypharma ap-12-5330,2 1h-pyridinone, 3-bromo-5-trifluoromethyl,3-bromo-5-trifluoromethyl-1h-pyridin-2-one,pubchem14531 |
| IUPAC Name | 3-bromo-5-(trifluoromethyl)-1H-pyridin-2-one |
| InChI Key | UWHKLLYQUQPOQK-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrF3NO |
tert-Butyl 4-(2-chloroethyl)piperazine-1-carboxylate, 97%
CAS: 208167-83-3 Molecular Formula: C11H21ClN2O2 Molecular Weight (g/mol): 248.76 InChI Key: MYOWELLYEZMECA-UHFFFAOYSA-N Synonym: tert-butyl 4-2-chloroethyl piperazine-1-carboxylate,tert-butyl 4-2-chloroethyl tetrahydro-1 2h-pyrazinecarboxylate,1-boc-4-2-chloroethyl piperazine,tert-butyl 4-2-chloroethyl piperazinecarboxylate,1-piperazinecarboxylic acid, 4-2-chloroethyl-, 1,1-dimethylethyl ester,4-2-chloroethyl piperazine, n1-boc protected,4-2-chloroethyl piperazine,n1-boc protected,tertbutylchloroethyltetrahydropyrazinecarboxylate,tert-butyl 4-2-chloroethyl tetrahydro-1 2h-pyraz PubChem CID: 22106269 IUPAC Name: tert-butyl 4-(2-chloroethyl)piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CCCl
| PubChem CID | 22106269 |
|---|---|
| CAS | 208167-83-3 |
| Molecular Weight (g/mol) | 248.76 |
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)CCCl |
| Synonym | tert-butyl 4-2-chloroethyl piperazine-1-carboxylate,tert-butyl 4-2-chloroethyl tetrahydro-1 2h-pyrazinecarboxylate,1-boc-4-2-chloroethyl piperazine,tert-butyl 4-2-chloroethyl piperazinecarboxylate,1-piperazinecarboxylic acid, 4-2-chloroethyl-, 1,1-dimethylethyl ester,4-2-chloroethyl piperazine, n1-boc protected,4-2-chloroethyl piperazine,n1-boc protected,tertbutylchloroethyltetrahydropyrazinecarboxylate,tert-butyl 4-2-chloroethyl tetrahydro-1 2h-pyraz |
| IUPAC Name | tert-butyl 4-(2-chloroethyl)piperazine-1-carboxylate |
| InChI Key | MYOWELLYEZMECA-UHFFFAOYSA-N |
| Molecular Formula | C11H21ClN2O2 |
4-Pyrimidin-2-ylbenzonitrile, 95%, Thermo Scientific™
CAS: 78322-96-0 Molecular Formula: C11H7N3 Molecular Weight (g/mol): 181.198 MDL Number: MFCD09817491 InChI Key: WGCKVXHOTDDNOA-UHFFFAOYSA-N Synonym: 4-pyrimidin-2-yl benzonitrile,4-cyanophenyl pyrimidine,2-4-cyanophenyl pyrimidine,4-pyrimidin-2-yl-benzonitrile,4-2-pyrimidinyl benzonitrile,benzonitrile, 4-2-pyrimidinyl,4-pyrimidin-2-ylbenzenecarbonitrile PubChem CID: 15486310 IUPAC Name: 4-pyrimidin-2-ylbenzonitrile SMILES: C1=CN=C(N=C1)C2=CC=C(C=C2)C#N
| PubChem CID | 15486310 |
|---|---|
| CAS | 78322-96-0 |
| Molecular Weight (g/mol) | 181.198 |
| MDL Number | MFCD09817491 |
| SMILES | C1=CN=C(N=C1)C2=CC=C(C=C2)C#N |
| Synonym | 4-pyrimidin-2-yl benzonitrile,4-cyanophenyl pyrimidine,2-4-cyanophenyl pyrimidine,4-pyrimidin-2-yl-benzonitrile,4-2-pyrimidinyl benzonitrile,benzonitrile, 4-2-pyrimidinyl,4-pyrimidin-2-ylbenzenecarbonitrile |
| IUPAC Name | 4-pyrimidin-2-ylbenzonitrile |
| InChI Key | WGCKVXHOTDDNOA-UHFFFAOYSA-N |
| Molecular Formula | C11H7N3 |
1,3,5-Triazine, 97%
CAS: 290-87-9 Molecular Formula: C3H3N3 Molecular Weight (g/mol): 81.08 MDL Number: MFCD00006044 InChI Key: JIHQDMXYYFUGFV-UHFFFAOYSA-N Synonym: s-triazine,sym-triazine,cyanidine,vedita 250,unii-8b5f4cm81e,vedita,1,5-triazine,hydrogen cyanide trimer,acmc-209h6t PubChem CID: 9262 ChEBI: CHEBI:30259 IUPAC Name: 1,3,5-triazine SMILES: C1=NC=NC=N1
| PubChem CID | 9262 |
|---|---|
| CAS | 290-87-9 |
| Molecular Weight (g/mol) | 81.08 |
| ChEBI | CHEBI:30259 |
| MDL Number | MFCD00006044 |
| SMILES | C1=NC=NC=N1 |
| Synonym | s-triazine,sym-triazine,cyanidine,vedita 250,unii-8b5f4cm81e,vedita,1,5-triazine,hydrogen cyanide trimer,acmc-209h6t |
| IUPAC Name | 1,3,5-triazine |
| InChI Key | JIHQDMXYYFUGFV-UHFFFAOYSA-N |
| Molecular Formula | C3H3N3 |
Isoquinoline-1-carbonitrile, 99%
CAS: 1198-30-7 Molecular Formula: C10H6N2 Molecular Weight (g/mol): 154.172 MDL Number: MFCD00134166 InChI Key: HJHXYSBRTVFEDD-UHFFFAOYSA-N Synonym: 1-cyanoisoquinoline,1-isoquinolinecarbonitrile,isoquinaldonitrile,isoquinolinecarbonitrile,1-cyano-isoquinoline,isoquinaldinic nitrile,pubchem6269,maybridge1_002114,timtec-bb sbb002487 PubChem CID: 306057 IUPAC Name: isoquinoline-1-carbonitrile SMILES: C1=CC=C2C(=C1)C=CN=C2C#N
| PubChem CID | 306057 |
|---|---|
| CAS | 1198-30-7 |
| Molecular Weight (g/mol) | 154.172 |
| MDL Number | MFCD00134166 |
| SMILES | C1=CC=C2C(=C1)C=CN=C2C#N |
| Synonym | 1-cyanoisoquinoline,1-isoquinolinecarbonitrile,isoquinaldonitrile,isoquinolinecarbonitrile,1-cyano-isoquinoline,isoquinaldinic nitrile,pubchem6269,maybridge1_002114,timtec-bb sbb002487 |
| IUPAC Name | isoquinoline-1-carbonitrile |
| InChI Key | HJHXYSBRTVFEDD-UHFFFAOYSA-N |
| Molecular Formula | C10H6N2 |
5-Methyl-2-(trifluoromethyl)-3-furyl isocyanate, 97%, Thermo Scientific™
CAS: 306935-03-5 Molecular Formula: C7H4F3NO2 Molecular Weight (g/mol): 191.109 InChI Key: WTKWFNIIIXNTDO-UHFFFAOYSA-N Synonym: 5-methyl-2-trifluoromethyl-3-furyl isocyanate,3-isocyanato-5-methyl-2-trifluoromethyl furan,furan,3-isocyanato-5-methyl-2-trifluoromethyl,5-methyl-2-trifluoromethyl fur-3-yl isocyanate,3-isocyanato-5-methyl-2-trifluoromethyl-furan,5-methyl-2-trifluoromethyl-3-furylisocyanate,5-methyl-2-trifluoromethyl furan-3-isocyanate,furan, 3-isocyanato-5-methyl-2-trifluoromethyl-9ci PubChem CID: 2779896 IUPAC Name: 3-isocyanato-5-methyl-2-(trifluoromethyl)furan SMILES: CC1=CC(=C(O1)C(F)(F)F)N=C=O
| PubChem CID | 2779896 |
|---|---|
| CAS | 306935-03-5 |
| Molecular Weight (g/mol) | 191.109 |
| SMILES | CC1=CC(=C(O1)C(F)(F)F)N=C=O |
| Synonym | 5-methyl-2-trifluoromethyl-3-furyl isocyanate,3-isocyanato-5-methyl-2-trifluoromethyl furan,furan,3-isocyanato-5-methyl-2-trifluoromethyl,5-methyl-2-trifluoromethyl fur-3-yl isocyanate,3-isocyanato-5-methyl-2-trifluoromethyl-furan,5-methyl-2-trifluoromethyl-3-furylisocyanate,5-methyl-2-trifluoromethyl furan-3-isocyanate,furan, 3-isocyanato-5-methyl-2-trifluoromethyl-9ci |
| IUPAC Name | 3-isocyanato-5-methyl-2-(trifluoromethyl)furan |
| InChI Key | WTKWFNIIIXNTDO-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3NO2 |
3-Thien-2-ylbenzonitrile 97+%, Thermo Scientific™
CAS: 380626-35-7 Molecular Formula: C11H7NS Molecular Weight (g/mol): 185.24 MDL Number: MFCD02323389 InChI Key: DIILPQRSOQWSCU-UHFFFAOYSA-N Synonym: 3-thien-2-ylbenzonitrile,3-thiophen-2-yl benzonitrile,3-2-thienyl benzonitrile,3-thiophen-2-yl-benzonitrile,3-2-thienyl benzenecarbonitrile PubChem CID: 4645033 IUPAC Name: 3-thiophen-2-ylbenzonitrile SMILES: N#CC1=CC(=CC=C1)C1=CC=CS1
| PubChem CID | 4645033 |
|---|---|
| CAS | 380626-35-7 |
| Molecular Weight (g/mol) | 185.24 |
| MDL Number | MFCD02323389 |
| SMILES | N#CC1=CC(=CC=C1)C1=CC=CS1 |
| Synonym | 3-thien-2-ylbenzonitrile,3-thiophen-2-yl benzonitrile,3-2-thienyl benzonitrile,3-thiophen-2-yl-benzonitrile,3-2-thienyl benzenecarbonitrile |
| IUPAC Name | 3-thiophen-2-ylbenzonitrile |
| InChI Key | DIILPQRSOQWSCU-UHFFFAOYSA-N |
| Molecular Formula | C11H7NS |
2,7-Dibromocarbazole
CAS: 136630-39-2 Molecular Formula: C12H7Br2N Molecular Weight (g/mol): 325.00 InChI Key: QPTWWBLGJZWRAV-UHFFFAOYSA-N IUPAC Name: 2,7-dibromo-9H-carbazole SMILES: BrC1=CC2=C(C=C1)C1=C(N2)C=C(Br)C=C1
| CAS | 136630-39-2 |
|---|---|
| Molecular Weight (g/mol) | 325.00 |
| SMILES | BrC1=CC2=C(C=C1)C1=C(N2)C=C(Br)C=C1 |
| IUPAC Name | 2,7-dibromo-9H-carbazole |
| InChI Key | QPTWWBLGJZWRAV-UHFFFAOYSA-N |
| Molecular Formula | C12H7Br2N |
(2-Methyl-3-furyl)methanol, 97%, Thermo Scientific™
CAS: 5554-99-4 Molecular Formula: C6H8O2 Molecular Weight (g/mol): 112.128 MDL Number: MFCD00052572 InChI Key: FTYOGLDPNBZSQC-UHFFFAOYSA-N PubChem CID: 2777165 IUPAC Name: (2-methylfuran-3-yl)methanol SMILES: CC1=C(C=CO1)CO
| PubChem CID | 2777165 |
|---|---|
| CAS | 5554-99-4 |
| Molecular Weight (g/mol) | 112.128 |
| MDL Number | MFCD00052572 |
| SMILES | CC1=C(C=CO1)CO |
| IUPAC Name | (2-methylfuran-3-yl)methanol |
| InChI Key | FTYOGLDPNBZSQC-UHFFFAOYSA-N |
| Molecular Formula | C6H8O2 |
7-Ethylindole, 98+%
CAS: 22867-74-9 Molecular Formula: C10H11N Molecular Weight (g/mol): 145.21 MDL Number: MFCD00143514 InChI Key: PIIZLMYXLGYWTN-UHFFFAOYSA-N Synonym: 7-ethylindole,1h-indole, 7-ethyl,7-ethyl indole,pubchem7338,acmc-1cfby,7-ethylindole gc PubChem CID: 2724711 IUPAC Name: 7-ethyl-1H-indole SMILES: CCC1=C2NC=CC2=CC=C1
| PubChem CID | 2724711 |
|---|---|
| CAS | 22867-74-9 |
| Molecular Weight (g/mol) | 145.21 |
| MDL Number | MFCD00143514 |
| SMILES | CCC1=C2NC=CC2=CC=C1 |
| Synonym | 7-ethylindole,1h-indole, 7-ethyl,7-ethyl indole,pubchem7338,acmc-1cfby,7-ethylindole gc |
| IUPAC Name | 7-ethyl-1H-indole |
| InChI Key | PIIZLMYXLGYWTN-UHFFFAOYSA-N |
| Molecular Formula | C10H11N |
1,3-Benzothiazol-6-amine, 97+%, Thermo Scientific™
CAS: 533-30-2 Molecular Formula: C7H6N2S Molecular Weight (g/mol): 150.199 InChI Key: FAYAYUOZWYJNBD-UHFFFAOYSA-N Synonym: 6-aminobenzothiazole,6-benzothiazolamine,benzo d thiazol-6-amine,6-amino-benzothiazole,benzothiazole, 6-amino,benzothiazol-6-amine,benzothiazol-6-ylamine,unii-9yfg4wuj1g,9yfg4wuj1g,1,3-benzothiazol-6-ylamine PubChem CID: 68288 IUPAC Name: 1,3-benzothiazol-6-amine SMILES: C1=CC2=C(C=C1N)SC=N2
| PubChem CID | 68288 |
|---|---|
| CAS | 533-30-2 |
| Molecular Weight (g/mol) | 150.199 |
| SMILES | C1=CC2=C(C=C1N)SC=N2 |
| Synonym | 6-aminobenzothiazole,6-benzothiazolamine,benzo d thiazol-6-amine,6-amino-benzothiazole,benzothiazole, 6-amino,benzothiazol-6-amine,benzothiazol-6-ylamine,unii-9yfg4wuj1g,9yfg4wuj1g,1,3-benzothiazol-6-ylamine |
| IUPAC Name | 1,3-benzothiazol-6-amine |
| InChI Key | FAYAYUOZWYJNBD-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2S |
2-Amino-1,3,4-thiadiazole, 98+%
CAS: 4005-51-0 Molecular Formula: C2H3N3S Molecular Weight (g/mol): 101.127 MDL Number: MFCD00003107 InChI Key: QUKGLNCXGVWCJX-UHFFFAOYSA-N Synonym: 2-amino-1,3,4-thiadiazole,aminothiadiazole,2-aminothiadiazole,atda,aminothiadazole,unii-6l41aok74p,1,3,4-thiadiazole, 2-amino,1,3,4 thiadiazol-2-ylamine,1,3,4-thiadiazol-2-ylamine PubChem CID: 19909 IUPAC Name: 1,3,4-thiadiazol-2-amine SMILES: C1=NN=C(S1)N
| PubChem CID | 19909 |
|---|---|
| CAS | 4005-51-0 |
| Molecular Weight (g/mol) | 101.127 |
| MDL Number | MFCD00003107 |
| SMILES | C1=NN=C(S1)N |
| Synonym | 2-amino-1,3,4-thiadiazole,aminothiadiazole,2-aminothiadiazole,atda,aminothiadazole,unii-6l41aok74p,1,3,4-thiadiazole, 2-amino,1,3,4 thiadiazol-2-ylamine,1,3,4-thiadiazol-2-ylamine |
| IUPAC Name | 1,3,4-thiadiazol-2-amine |
| InChI Key | QUKGLNCXGVWCJX-UHFFFAOYSA-N |
| Molecular Formula | C2H3N3S |
4-Vinylpyridine, 95%, stab. with 80 to 150ppm hydroquinone
CAS: 100-43-6 Molecular Formula: C7H7N Molecular Weight (g/mol): 105.14 MDL Number: MFCD00006447 InChI Key: KFDVPJUYSDEJTH-UHFFFAOYSA-N Synonym: 4-vinylpyridine,pyridine, 4-ethenyl,pyridine, 4-vinyl,gamma-vinylpyridine,unii-i56g67xm8d,ccris 5240,4vp,4-pyridylethylene,4-vinyl-pyridine,4-vinyl pyridine PubChem CID: 7502 IUPAC Name: 4-ethenylpyridine SMILES: C=CC1=CC=NC=C1
| PubChem CID | 7502 |
|---|---|
| CAS | 100-43-6 |
| Molecular Weight (g/mol) | 105.14 |
| MDL Number | MFCD00006447 |
| SMILES | C=CC1=CC=NC=C1 |
| Synonym | 4-vinylpyridine,pyridine, 4-ethenyl,pyridine, 4-vinyl,gamma-vinylpyridine,unii-i56g67xm8d,ccris 5240,4vp,4-pyridylethylene,4-vinyl-pyridine,4-vinyl pyridine |
| IUPAC Name | 4-ethenylpyridine |
| InChI Key | KFDVPJUYSDEJTH-UHFFFAOYSA-N |
| Molecular Formula | C7H7N |