Organoheterocyclic compounds
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2,3-Dimethylthiophene, 97%
CAS: 632-16-6 Molecular Formula: C6H8S Molecular Weight (g/mol): 112.19 MDL Number: MFCD00130081 InChI Key: BZYUMXXOAYSFOW-UHFFFAOYSA-N Synonym: thiophene, 2,3-dimethyl,2,3-dimethyl-thiophene,2,3,dimethylthiophene,pubchem7751,2.3-dimethylthiophene,dimethylthiophene,2,3-dirnethylthiophene PubChem CID: 34295 IUPAC Name: 2,3-dimethylthiophene SMILES: CC1=C(C)C=CS1
| PubChem CID | 34295 |
|---|---|
| CAS | 632-16-6 |
| Molecular Weight (g/mol) | 112.19 |
| MDL Number | MFCD00130081 |
| SMILES | CC1=C(C)C=CS1 |
| Synonym | thiophene, 2,3-dimethyl,2,3-dimethyl-thiophene,2,3,dimethylthiophene,pubchem7751,2.3-dimethylthiophene,dimethylthiophene,2,3-dirnethylthiophene |
| IUPAC Name | 2,3-dimethylthiophene |
| InChI Key | BZYUMXXOAYSFOW-UHFFFAOYSA-N |
| Molecular Formula | C6H8S |
1-Cyanoacetyl-3,5-dimethyl-1H-pyrazole, 97%
CAS: 36140-83-7 Molecular Formula: C8H9N3O Molecular Weight (g/mol): 163.18 MDL Number: MFCD00051954 InChI Key: DDWZYWSLHBDVGR-UHFFFAOYSA-N Synonym: 1-cyanoacetyl-3,5-dimethylpyrazole,3-3,5-dimethyl-1h-pyrazol-1-yl-3-oxopropanenitrile,3-3,5-dimethylpyrazol-1-yl-3-oxopropanenitrile,1-cyanoacetyl-3,5-dimethyl-1h-pyrazole,3-3,5-dimethylpyrazolyl-3-oxopropanenitrile,cambridge id 5140887,1h-pyrazole-1-propanenitrile, 3,5-dimethyl-,a-oxo,1,cyanoacetyl-3,5-dimethylpyrazole,1h-pyrazole-1-propanenitrile, 3,5-dimethyl-beta-oxo PubChem CID: 262101 IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-3-oxopropanenitrile SMILES: CC1=CC(=NN1C(=O)CC#N)C
| PubChem CID | 262101 |
|---|---|
| CAS | 36140-83-7 |
| Molecular Weight (g/mol) | 163.18 |
| MDL Number | MFCD00051954 |
| SMILES | CC1=CC(=NN1C(=O)CC#N)C |
| Synonym | 1-cyanoacetyl-3,5-dimethylpyrazole,3-3,5-dimethyl-1h-pyrazol-1-yl-3-oxopropanenitrile,3-3,5-dimethylpyrazol-1-yl-3-oxopropanenitrile,1-cyanoacetyl-3,5-dimethyl-1h-pyrazole,3-3,5-dimethylpyrazolyl-3-oxopropanenitrile,cambridge id 5140887,1h-pyrazole-1-propanenitrile, 3,5-dimethyl-,a-oxo,1,cyanoacetyl-3,5-dimethylpyrazole,1h-pyrazole-1-propanenitrile, 3,5-dimethyl-beta-oxo |
| IUPAC Name | 3-(3,5-dimethylpyrazol-1-yl)-3-oxopropanenitrile |
| InChI Key | DDWZYWSLHBDVGR-UHFFFAOYSA-N |
| Molecular Formula | C8H9N3O |
2,5-Dichlorothiophene-3-sulfonyl chloride, 97%
CAS: 56946-83-9 Molecular Formula: C4HCl3O2S2 Molecular Weight (g/mol): 251.52 MDL Number: MFCD00051665 InChI Key: JJKSHSHZJOWSEC-UHFFFAOYSA-N Synonym: 2,5-dichlorothiophene-3-sulphonyl chloride,2,5-dichloro-3-thiophenesulfonyl chloride,3-thiophenesulfonyl chloride, 2,5-dichloro,2,5-dichlorothiophene-3-sulfonic acid chloride,pubchem7412,2,5-dichlorothiophene-3-sulfonylchloride,acmc-1avwk,2,5-dichloro 3-thienyl chlorosulfone,2,5-dichloro-3-thienylsulfonyl chloride,2,5-dichlorothien-3-yl-sulfonyl chloride PubChem CID: 2736094 IUPAC Name: 2,5-dichlorothiophene-3-sulfonyl chloride SMILES: C1=C(SC(=C1S(=O)(=O)Cl)Cl)Cl
| PubChem CID | 2736094 |
|---|---|
| CAS | 56946-83-9 |
| Molecular Weight (g/mol) | 251.52 |
| MDL Number | MFCD00051665 |
| SMILES | C1=C(SC(=C1S(=O)(=O)Cl)Cl)Cl |
| Synonym | 2,5-dichlorothiophene-3-sulphonyl chloride,2,5-dichloro-3-thiophenesulfonyl chloride,3-thiophenesulfonyl chloride, 2,5-dichloro,2,5-dichlorothiophene-3-sulfonic acid chloride,pubchem7412,2,5-dichlorothiophene-3-sulfonylchloride,acmc-1avwk,2,5-dichloro 3-thienyl chlorosulfone,2,5-dichloro-3-thienylsulfonyl chloride,2,5-dichlorothien-3-yl-sulfonyl chloride |
| IUPAC Name | 2,5-dichlorothiophene-3-sulfonyl chloride |
| InChI Key | JJKSHSHZJOWSEC-UHFFFAOYSA-N |
| Molecular Formula | C4HCl3O2S2 |
Hexamethyleneimine, 98+%
CAS: 111-49-9 Molecular Formula: C6H13N Molecular Weight (g/mol): 99.177 MDL Number: MFCD00006934 InChI Key: ZSIQJIWKELUFRJ-UHFFFAOYSA-N Synonym: hexamethyleneimine,homopiperidine,hexahydroazepine,hexahydro-1h-azepine,perhydroazepine,1h-azepine, hexahydro,hexamethylenimine,azacycloheptane,azepan,hexamethylene imine PubChem CID: 8119 ChEBI: CHEBI:32616 IUPAC Name: azepane SMILES: C1CCCNCC1
| PubChem CID | 8119 |
|---|---|
| CAS | 111-49-9 |
| Molecular Weight (g/mol) | 99.177 |
| ChEBI | CHEBI:32616 |
| MDL Number | MFCD00006934 |
| SMILES | C1CCCNCC1 |
| Synonym | hexamethyleneimine,homopiperidine,hexahydroazepine,hexahydro-1h-azepine,perhydroazepine,1h-azepine, hexahydro,hexamethylenimine,azacycloheptane,azepan,hexamethylene imine |
| IUPAC Name | azepane |
| InChI Key | ZSIQJIWKELUFRJ-UHFFFAOYSA-N |
| Molecular Formula | C6H13N |
2,6-Dichloronicotinic acid, 98+%
CAS: 38496-18-3 Molecular Formula: C6H3Cl2NO2 Molecular Weight (g/mol): 192 MDL Number: MFCD00075583 InChI Key: AJPKQSSFYHPYMH-UHFFFAOYSA-N Synonym: 2,6-dichloronicotinic acid,2,6-dichloro-nicotinic acid,2,6-dichloro-3-pyridinecarboxylic acid,dichloronicotinic acid,2,6-dichloronicotininc acid,3-pyridinecarboxylic acid, 2,6-dichloro,2,6-dichloronicotinincacid,pubchem1225,2,6-dichlornicotinsaure,acmc-209j0g PubChem CID: 854047 IUPAC Name: 2,6-dichloropyridine-3-carboxylic acid SMILES: C1=CC(=NC(=C1C(=O)O)Cl)Cl
| PubChem CID | 854047 |
|---|---|
| CAS | 38496-18-3 |
| Molecular Weight (g/mol) | 192 |
| MDL Number | MFCD00075583 |
| SMILES | C1=CC(=NC(=C1C(=O)O)Cl)Cl |
| Synonym | 2,6-dichloronicotinic acid,2,6-dichloro-nicotinic acid,2,6-dichloro-3-pyridinecarboxylic acid,dichloronicotinic acid,2,6-dichloronicotininc acid,3-pyridinecarboxylic acid, 2,6-dichloro,2,6-dichloronicotinincacid,pubchem1225,2,6-dichlornicotinsaure,acmc-209j0g |
| IUPAC Name | 2,6-dichloropyridine-3-carboxylic acid |
| InChI Key | AJPKQSSFYHPYMH-UHFFFAOYSA-N |
| Molecular Formula | C6H3Cl2NO2 |
3,4-Diaminofurazan, 97%
CAS: 17220-38-1 Molecular Formula: C2H4N4O Molecular Weight (g/mol): 100.08 MDL Number: MFCD00138084 InChI Key: JHJVSUCUNFXIHN-UHFFFAOYSA-N Synonym: 3,4-diaminofurazan,furazandiamine,3,4-diamino-1,2,5-oxadiazole,diaminofurazan,4,5-diaminofurazan,3,4-diaminofurazane,furazan-3,4-diamine,pubchem21086,# PubChem CID: 537677 IUPAC Name: 1,2,5-oxadiazole-3,4-diamine SMILES: C1(=NON=C1N)N
| PubChem CID | 537677 |
|---|---|
| CAS | 17220-38-1 |
| Molecular Weight (g/mol) | 100.08 |
| MDL Number | MFCD00138084 |
| SMILES | C1(=NON=C1N)N |
| Synonym | 3,4-diaminofurazan,furazandiamine,3,4-diamino-1,2,5-oxadiazole,diaminofurazan,4,5-diaminofurazan,3,4-diaminofurazane,furazan-3,4-diamine,pubchem21086,# |
| IUPAC Name | 1,2,5-oxadiazole-3,4-diamine |
| InChI Key | JHJVSUCUNFXIHN-UHFFFAOYSA-N |
| Molecular Formula | C2H4N4O |
Thermo Scientific Chemicals Olanzapine
CAS: 132539-06-1 Molecular Formula: C17H20N4S Molecular Weight (g/mol): 312.44 MDL Number: MFCD00866702 InChI Key: WXPNDRBBWZMPQG-UHFFFAOYSA-N IUPAC Name: 5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),2,5,7,10,12-hexaene SMILES: CN1CCN(CC1)C1=C2C=C(C)SC2=NC2=CC=CC=C2N1
| CAS | 132539-06-1 |
|---|---|
| Molecular Weight (g/mol) | 312.44 |
| MDL Number | MFCD00866702 |
| SMILES | CN1CCN(CC1)C1=C2C=C(C)SC2=NC2=CC=CC=C2N1 |
| IUPAC Name | 5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),2,5,7,10,12-hexaene |
| InChI Key | WXPNDRBBWZMPQG-UHFFFAOYSA-N |
| Molecular Formula | C17H20N4S |
3-Bromopyridine-2-carboxylic acid, 97%
CAS: 30683-23-9 Molecular Formula: C6H4BrNO2 Molecular Weight (g/mol): 202.007 MDL Number: MFCD01320380 InChI Key: KBDIRPOTVAODSA-UHFFFAOYSA-N Synonym: 3-bromopicolinic acid,3-bromo-2-pyridinecarboxylic acid,2-pyridinecarboxylic acid, 3-bromo,3-bromopyridine-2-carboxylicacid,3-bromo-2-pyridine carboxylic acid,3-bromo-pyridine-2-carboxylic acid,pubchem5070,bromopyridine carboxylic,acmc-1cpch,3-bromo-2-picolinic acid PubChem CID: 2050129 IUPAC Name: 3-bromopyridine-2-carboxylic acid SMILES: C1=CC(=C(N=C1)C(=O)O)Br
| PubChem CID | 2050129 |
|---|---|
| CAS | 30683-23-9 |
| Molecular Weight (g/mol) | 202.007 |
| MDL Number | MFCD01320380 |
| SMILES | C1=CC(=C(N=C1)C(=O)O)Br |
| Synonym | 3-bromopicolinic acid,3-bromo-2-pyridinecarboxylic acid,2-pyridinecarboxylic acid, 3-bromo,3-bromopyridine-2-carboxylicacid,3-bromo-2-pyridine carboxylic acid,3-bromo-pyridine-2-carboxylic acid,pubchem5070,bromopyridine carboxylic,acmc-1cpch,3-bromo-2-picolinic acid |
| IUPAC Name | 3-bromopyridine-2-carboxylic acid |
| InChI Key | KBDIRPOTVAODSA-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO2 |
2-Thiohydantoin, 98%
CAS: 503-87-7 Molecular Formula: C3H4N2OS Molecular Weight (g/mol): 116.14 MDL Number: MFCD00005277 InChI Key: UGWULZWUXSCWPX-UHFFFAOYSA-N Synonym: 2-thiohydantoin,thiohydantoin,4-imidazolidinone, 2-thioxo,2-thioxoimidazolidin-4-one,2-thioguidanthion,hydantoin, 2-thio,usaf be-25,2-thioxo-4-imidazolidinone,2-thioxo-1,3-diazolidin-4-one,glycine thiohydantoin PubChem CID: 1274030 IUPAC Name: 2-sulfanylideneimidazolidin-4-one SMILES: O=C1CNC(=S)N1
| PubChem CID | 1274030 |
|---|---|
| CAS | 503-87-7 |
| Molecular Weight (g/mol) | 116.14 |
| MDL Number | MFCD00005277 |
| SMILES | O=C1CNC(=S)N1 |
| Synonym | 2-thiohydantoin,thiohydantoin,4-imidazolidinone, 2-thioxo,2-thioxoimidazolidin-4-one,2-thioguidanthion,hydantoin, 2-thio,usaf be-25,2-thioxo-4-imidazolidinone,2-thioxo-1,3-diazolidin-4-one,glycine thiohydantoin |
| IUPAC Name | 2-sulfanylideneimidazolidin-4-one |
| InChI Key | UGWULZWUXSCWPX-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2OS |
Methyl 5-bromo-2-furoate, 98%
CAS: 2527-99-3 Molecular Formula: C6H5BrO3 Molecular Weight (g/mol): 205.01 InChI Key: FBPIDMAELBIRLE-UHFFFAOYSA-N Synonym: methyl 5-bromo-2-furoate,methyl 5-bromo-2-furancarboxylate,5-bromo-2-furoic acid methyl ester,2-furancarboxylic acid, 5-bromo-, methyl ester,5-bromo-2-furancarboxylic acid methyl ester,5-bromofuran-2-carboxylic acid methyl ester,methyl 5-bromofuroate,2-furoic acid, 5-bromo-, methyl ester,methyl 5-bromo-furanate,maybridge1_004996 PubChem CID: 599633 IUPAC Name: methyl 5-bromofuran-2-carboxylate SMILES: COC(=O)C1=CC=C(O1)Br
| PubChem CID | 599633 |
|---|---|
| CAS | 2527-99-3 |
| Molecular Weight (g/mol) | 205.01 |
| SMILES | COC(=O)C1=CC=C(O1)Br |
| Synonym | methyl 5-bromo-2-furoate,methyl 5-bromo-2-furancarboxylate,5-bromo-2-furoic acid methyl ester,2-furancarboxylic acid, 5-bromo-, methyl ester,5-bromo-2-furancarboxylic acid methyl ester,5-bromofuran-2-carboxylic acid methyl ester,methyl 5-bromofuroate,2-furoic acid, 5-bromo-, methyl ester,methyl 5-bromo-furanate,maybridge1_004996 |
| IUPAC Name | methyl 5-bromofuran-2-carboxylate |
| InChI Key | FBPIDMAELBIRLE-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrO3 |
| CAS | 3939-12-6 |
|---|---|
| MDL Number | MFCD09261087 |
Methyl 2-methyl-3-furoate, 97%
CAS: 6141-58-8 Molecular Formula: C7H8O3 Molecular Weight (g/mol): 140.138 MDL Number: MFCD00003249 InChI Key: UVRRIABXNIGUJZ-UHFFFAOYSA-N PubChem CID: 80237 IUPAC Name: methyl 2-methylfuran-3-carboxylate SMILES: CC1=C(C=CO1)C(=O)OC
| PubChem CID | 80237 |
|---|---|
| CAS | 6141-58-8 |
| Molecular Weight (g/mol) | 140.138 |
| MDL Number | MFCD00003249 |
| SMILES | CC1=C(C=CO1)C(=O)OC |
| IUPAC Name | methyl 2-methylfuran-3-carboxylate |
| InChI Key | UVRRIABXNIGUJZ-UHFFFAOYSA-N |
| Molecular Formula | C7H8O3 |
N-[(2-Chloropyridin-4-yl)methyl]-N-methylamine, 97%, Thermo Scientific™
CAS: 748187-76-0 Molecular Formula: C7H9ClN2 Molecular Weight (g/mol): 156.61 MDL Number: MFCD06654462 InChI Key: NIBLXLUVASMQFM-UHFFFAOYSA-N PubChem CID: 2794168 IUPAC Name: 1-(2-chloropyridin-4-yl)-N-methylmethanamine SMILES: CNCC1=CC(Cl)=NC=C1
| PubChem CID | 2794168 |
|---|---|
| CAS | 748187-76-0 |
| Molecular Weight (g/mol) | 156.61 |
| MDL Number | MFCD06654462 |
| SMILES | CNCC1=CC(Cl)=NC=C1 |
| IUPAC Name | 1-(2-chloropyridin-4-yl)-N-methylmethanamine |
| InChI Key | NIBLXLUVASMQFM-UHFFFAOYSA-N |
| Molecular Formula | C7H9ClN2 |
4-Aminopiperidine, 95%
CAS: 13035-19-3 Molecular Formula: C5H12N2 Molecular Weight (g/mol): 100.165 MDL Number: MFCD02179399 InChI Key: BCIIMDOZSUCSEN-UHFFFAOYSA-N Synonym: 4-aminopiperidine,4-piperidinamine,4-piperidineamine,piperidin-4-ylamine,4-amino piperidine,4-piperidylamine,4-piperidinamine dihydrochloride,pperdn-4-amne,4-amino,4-amino-piperidine PubChem CID: 424361 IUPAC Name: piperidin-4-amine SMILES: C1CNCCC1N
| PubChem CID | 424361 |
|---|---|
| CAS | 13035-19-3 |
| Molecular Weight (g/mol) | 100.165 |
| MDL Number | MFCD02179399 |
| SMILES | C1CNCCC1N |
| Synonym | 4-aminopiperidine,4-piperidinamine,4-piperidineamine,piperidin-4-ylamine,4-amino piperidine,4-piperidylamine,4-piperidinamine dihydrochloride,pperdn-4-amne,4-amino,4-amino-piperidine |
| IUPAC Name | piperidin-4-amine |
| InChI Key | BCIIMDOZSUCSEN-UHFFFAOYSA-N |
| Molecular Formula | C5H12N2 |