Organoheterocyclic compounds
1,1'-Thiocarbonyldiimidazole, tech 90%
CAS: 6160-65-2 Molecular Formula: C7H6N4S Molecular Weight (g/mol): 178.21 MDL Number: MFCD00005289 InChI Key: RAFNCPHFRHZCPS-UHFFFAOYSA-N Synonym: 1,1'-thiocarbonyldiimidazole,thiocarbonyldiimidazole,n,n'-thiocarbonyldiimidazole,di 1h-imidazol-1-yl methanethione,1,1-thiocarbonyldiimidazole,di imidazol-1-yl methanethione,n,n'-thiocarbonyldiimidazole tcdi,1h-imidazole, 1,1'-carbonothioylbis,n,n-thiocarbonyldiimidazole,1,1'-carbonothioylbis-1h-imidazole PubChem CID: 80264 IUPAC Name: di(imidazol-1-yl)methanethione SMILES: S=C(N1C=CN=C1)N1C=CN=C1
4-Fluoro-7-nitrobenzofurazan, 98%
CAS: 29270-56-2 Molecular Formula: C6H2FN3O3 Molecular Weight (g/mol): 183.1 MDL Number: MFCD00010196 InChI Key: PGZIDERTDJHJFY-UHFFFAOYSA-N Synonym: 4-fluoro-7-nitrobenzofurazan,nbd-f,4-fluoro-7-nitrobenzo c 1,2,5 oxadiazole,7-fluoro-4-nitrobenzofurazan,7-fluoro-4-nitrobenzo-2-oxa-1,3-diazole,4-fluoro-7-nitrobenz-2-oxa-1,3-diazole,2,1,3-benzoxadiazole, 4-fluoro-7-nitro,nbd-fluoride,nbd-f cpd,4-fluoro-7-nitrobenzo c 1,2,5-oxadiazole PubChem CID: 122123 IUPAC Name: 4-fluoro-7-nitro-2,1,3-benzoxadiazole SMILES: C1=C(C2=NON=C2C(=C1)F)[N+](=O)[O-]
2-Amino-5-bromo-4-(trifluoromethyl)pyridine, 97%, Thermo Scientific Chemicals
CAS: 944401-56-3 Molecular Formula: C6H4BrF3N2 Molecular Weight (g/mol): 241.01 MDL Number: MFCD09864896 InChI Key: AEWYLVDLWQPJGW-UHFFFAOYSA-N Synonym: 5-bromo-4-trifluoromethyl pyridin-2-amine,2-amino-5-bromo-4-trifluoromethyl pyridine,5-bromo-4-trifluoromethyl-2-pyridylamine,2-amino-5-bromo-4-trifluoromethylpyridine,acmc-209rru,2-amino-4-trifluoromethyl-5-bromopyridine,5-bromo-4-trifluoromethyl-2-pyridinamine,5-bromo-4-trifluoromethyl-2-pyridinylamine,5-bromanyl-4-trifluoromethyl pyridin-2-amine PubChem CID: 28875348 IUPAC Name: 5-bromo-4-(trifluoromethyl)pyridin-2-amine SMILES: NC1=NC=C(Br)C(=C1)C(F)(F)F
(S)-(-)-3-Aminotetrahydrofuran p-toluenesulfonate salt, 97%
CAS: 104530-79-2 Molecular Formula: C4H9NO Molecular Weight (g/mol): 87.12 MDL Number: MFCD08234425,MFCD07778394 InChI Key: MIPHRQMEIYLZFZ-UHFFFAOYNA-N Synonym: s-3-aminotetrahydrofuran,s-tetrahydrofuran-3-amine,3s-oxolan-3-amine,3-furanamine,tetrahydro-, 3s,s-tetrahydro-furan-3-ylamine,tetrahydrofuran-3beta-amine,s-3-amino-tetrahydrofuran,5-tetrahydrofuran-3-amine,3s-tetrahydro-3-furanamine,3s-tetrahydrofuran-3-amine PubChem CID: 14243168 IUPAC Name: oxolan-3-amine SMILES: NC1CCOC1
3,4-Dimethylthiophene, 97%
CAS: 632-15-5 Molecular Formula: C6H8S Molecular Weight (g/mol): 112.19 MDL Number: MFCD01764731 InChI Key: GPSFYJDZKSRMKZ-UHFFFAOYSA-N PubChem CID: 79089 IUPAC Name: 3,4-dimethylthiophene SMILES: CC1=CSC=C1C
5-Fluorouracil, >99%, MP Biomedicals™
CAS: 51-21-8 Molecular Formula: C4H3FN2O2 Molecular Weight (g/mol): 130.08 MDL Number: MFCD00006018 InChI Key: GHASVSINZRGABV-UHFFFAOYSA-N Synonym: 5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,5-fluoropyrimidine-2,4 1h,3h-dione PubChem CID: 3385 ChEBI: CHEBI:46345 IUPAC Name: 5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione SMILES: FC1=CNC(=O)NC1=O
3-Methyl-5-methoxycarbonyl-4-piperidone hydrochloride, 99%
CAS: 205692-64-4 Molecular Formula: C8H13NO3·HCl Molecular Weight (g/mol): 207.66 MDL Number: MFCD00143176 InChI Key: JTZAAEGXSGIXFC-UHFFFAOYSA-N Synonym: methyl 5-methyl-4-oxopiperidine-3-carboxylate hydrochloride,3-methyl-5-methoxycarbonyl-4-piperidone hydrochloride PubChem CID: 73012647 IUPAC Name: methyl 5-methyl-4-oxopiperidine-3-carboxylate;hydrochloride SMILES: CC1CNCC(C1=O)C(=O)OC.Cl
1-Octyl-3-methylimidazolium hexafluorophosphate, 98+%
CAS: 304680-36-2 Molecular Formula: C12H23F6N2P Molecular Weight (g/mol): 340.29 MDL Number: MFCD03427617 InChI Key: GRCIJNHHTXBJAK-UHFFFAOYSA-N Synonym: 1-methyl-3-n-octylimidazolium hexafluorophosphate,3-methyl-1-octylimidazolium hexafluorophosphate,1-methyl-3-octylimidazolium hexafluorophosphate,1-octyl-3-methylimidazolium hexafluorophosphate,1-methyl-3-n-octylimidazoliumhexafluorophosphate,acmc-20aj2z,dsstox_cid_27928,dsstox_rid_82681,dsstox_gsid_47952,ksc222c5l PubChem CID: 2734243 IUPAC Name: 1-methyl-3-octylimidazol-1-ium;hexafluorophosphate SMILES: F[P-](F)(F)(F)(F)F.CCCCCCCCN1C=C[N+](C)=C1
4,7-Dimethyl-1,10-phenanthroline, 98%
CAS: 3248-05-3 Molecular Formula: C14H12N2 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00004979 InChI Key: JIVLDFFWTQYGSR-UHFFFAOYSA-N Synonym: 4,7-dimethyl-o-phenanthroline,1,10-phenanthroline, 4,7-dimethyl,4,7-dimethyl-1,10 phenanthroline,4,7-dimethylpyridino 3,2-h quinoline,acmc-1cjn6,bis 5-chlorophenyl acetic acid,4,7-dimethyl-1,9-phenanthroline,1,10-phenanthroline, 4,7-dimethyl-, hydrate PubChem CID: 72792 IUPAC Name: 4,7-dimethyl-1,10-phenanthroline SMILES: CC1=C2C=CC3=C(C=CN=C3C2=NC=C1)C
3-Amino-6-chloropyridazine, 97%, Thermo Scientific Chemicals
CAS: 5469-69-2 Molecular Formula: C4H4ClN3 Molecular Weight (g/mol): 129.55 MDL Number: MFCD00051506 InChI Key: DTXVKPOKPFWSFF-UHFFFAOYSA-N Synonym: 3-amino-6-chloropyridazine,3-pyridazinamine, 6-chloro,6-chloro-3-pyridazinamine,6-amino-3-chloropyridazine,6-chloro-3-aminopyridazine,6-chloropyridazin-3-ylamine,6-chloro-pyridazin-3-ylamine,unii-ijs443slzg,3-chloro-6-pyridazinamine,6-chloro-3-pyridazinylamine PubChem CID: 21643 IUPAC Name: 6-chloropyridazin-3-amine SMILES: NC1=CC=C(Cl)N=N1
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
Imidazole, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™
CAS: 288-32-4 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Synonym: imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 IUPAC Name: 1H-imidazole SMILES: N1C=CN=C1
1-Chloro-4-hydroxyisoquinoline, 97%
CAS: 3336-43-4 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.60 MDL Number: MFCD03425941 InChI Key: JEVLGPVFFYUBRI-UHFFFAOYSA-N Synonym: 1-chloro-4-hydroxyisoquinoline,4-isoquinolinol, 1-chloro,pubchem18457,1-chloroisoquinoline-4-ol,1-chloro-isoquinolin-4-ol,4-isoquinolinol,1-chloro,1-chloro-4-hydroxy isoquinoline,1-chloro-4-hydroxyisoquinoline 97 PubChem CID: 4281882 IUPAC Name: 1-chloroisoquinolin-4-ol SMILES: OC1=CN=C(Cl)C2=CC=CC=C12
Adenine Hemisulfate Dihydrate, ≥99%, MP Biomedicals™
CAS: 6509-19-9 Molecular Formula: C10H16N10O6S Molecular Weight (g/mol): 404.36 MDL Number: MFCD00150149 InChI Key: MKPCNMXYTMQZBE-UHFFFAOYSA-N Synonym: 9h-purin-6-amine hemisulfate dihydrate,adenine hemisulfate dihydrate,6-aminopurine sulfate dihydrate,bis ade sulfuric acid dihydrate,sulfuric acid bis vitamin b4 dihydrate,bis adenine sulfuric acid dihydrate,sulfuric acid-7h-purin-6-amine-water 1/2/2 PubChem CID: 44134512 IUPAC Name: bis(7H-purin-6-amine) sulfuric acid dihydrate SMILES: O.O.OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
6-Aminonicotinamide, MP Biomedicals™
CAS: 329-89-5 Molecular Formula: C6H7N3O Molecular Weight (g/mol): 137.14 MDL Number: MFCD00006327 InChI Key: ZLWYEPMDOUQDBW-UHFFFAOYSA-N Synonym: 6-aminonicotinamide,2-amino-5-carbamoylpyridine,3-pyridinecarboxamide, 6-amino,6-amino-3-pyridinecarboxamide,6-aminonicotinic acid amide,6-aminonikotinsaeureamid,nicotinamide, 6-amino,aminonicotinamide,6-an,6-amino-nicotinsaeureamid PubChem CID: 9500 ChEBI: CHEBI:74514 IUPAC Name: 6-aminopyridine-3-carboxamide SMILES: NC(=O)C1=CC=C(N)N=C1