Organoheterocyclic compounds
3-(1H-Imidazol-1-ylmethyl)benzoic acid hydrochloride, Tech., Thermo Scientific™
CAS: 218131-32-9 Molecular Formula: C11H11ClN2O2 Molecular Weight (g/mol): 238.671 MDL Number: MFCD08690248 InChI Key: YTCNDYWVEAFCMT-UHFFFAOYSA-N Synonym: 3-1h-imidazol-1-ylmethyl benzoic acid hydrochloride,3-imidazol-1-ylmethyl-benzoic acid hydrochloride,3-imidazol-1-ylmethyl benzoic acid hydrochloride,3-imidazolylmethyl benzoic acid, chloride,3-1h-imidazol-1-yl methyl benzoic acid hydrochloride,3-1h-imidazol-1-yl methyl benzoic acid-hydrogen chloride 1/1 PubChem CID: 18525763 IUPAC Name: 3-(imidazol-1-ylmethyl)benzoic acid;hydrochloride SMILES: C1=CC(=CC(=C1)CN2C=CN=C2)C(=O)O.Cl
1-Allyl-3-methylimidazolium bromide, 97%
CAS: 31410-07-8 Molecular Formula: C7H11BrN2 Molecular Weight (g/mol): 203.08 MDL Number: MFCD08277003 InChI Key: KLFDZFIZKMEUGI-UHFFFAOYSA-M Synonym: 1-allyl-3-methylimidazolium bromide,1-allyl-3-methyl-1h-imidazol-3-ium bromide,1-methyl-3-prop-2-en-1-yl imidazol-1-ium bromide,ksc221i2h,3-methyl-1-prop-2-en-1-yl imidazol-1-ium bromide PubChem CID: 11229454 SMILES: [Br-].C[N+]1=CN(CC=C)C=C1
1-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carbonylchloride hydrochloride, ≥97%, Thermo Scientific™
CAS: 568577-86-6 Molecular Formula: C12H12Cl2N2OS Molecular Weight (g/mol): 303.201 MDL Number: MFCD04974045 InChI Key: AUZZRVMDIAHPNZ-UHFFFAOYSA-N Synonym: 1-benzyl-2-methylsulfanyl-1h-imidazole-5-carbonyl chloride hydrochloride,3-benzyl-2-methylsulfanyl imidazole-4-carbonyl chloride hydrochloride,3-benzyl-2-methylsulfanylimidazole-4-carbonyl chloride hydrochloride,1-benzyl-2-methylthio-1h-imidazole-5-carbonyl chloride hydrochloride PubChem CID: 2795486 IUPAC Name: 3-benzyl-2-methylsulfanylimidazole-4-carbonyl chloride;hydrochloride SMILES: CSC1=NC=C(N1CC2=CC=CC=C2)C(=O)Cl.Cl
7-Fluorobenzofurazan-4-sulfonic acid ammonium salt, 99%, Thermo Scientific Chemicals
CAS: 84806-27-9 Molecular Formula: C6H6FN3O4S Molecular Weight (g/mol): 235.189 MDL Number: MFCD02682109 InChI Key: JXLHNMVSKXFWAO-UHFFFAOYSA-N Synonym: sbd-f,7-fluorobenzofurazan-4-sulfonic acid ammonium salt,ammonium 7-fluoro-2,1,3-benzoxadiazole-4-sulfonate,ammonium 7-fluoro-2,1,3-benzoxadiazole-4-sulphonate,azanium 7-fluoro-2,1,3-benzoxadiazole-4-sulfonate,ammonium 7-fluorobenzo c 1,2,5 oxadiazole-4-sulfonate,7-fluorobenzo c 1,2,5-oxadiazole-4-sulfonic acid, azamethane,2,1,3-benzoxadiazole-4-sulfonic acid, 7-fluoro-, ammonium salt 1:1 PubChem CID: 2737780 IUPAC Name: azanium;7-fluoro-2,1,3-benzoxadiazole-4-sulfonate SMILES: C1=C(C2=NON=C2C(=C1)S(=O)(=O)[O-])F.[NH4+]
Benzofurazan, 97%
CAS: 273-09-6 Molecular Formula: C6H4N2O Molecular Weight (g/mol): 120.111 MDL Number: MFCD00068064 InChI Key: AWBOSXFRPFZLOP-UHFFFAOYSA-N Synonym: benzofurazan,benzo c 1,2,5 oxadiazole,benzofurazane,2,1,3-benzoxadiazol,benzo-2,1,3-oxadiazole,2-oxa-1,3-diaza-2h-isoindene,3,5-cyclohexadiene-1,2-dione, dioxime, furazan,pubchem22999,acmc-209gwb PubChem CID: 67501 IUPAC Name: 2,1,3-benzoxadiazole SMILES: C1=CC2=NON=C2C=C1
5-Bromobenzofurazan, 97%
CAS: 51376-06-8 Molecular Formula: C6H3BrN2O Molecular Weight (g/mol): 199.01 MDL Number: MFCD02682026 InChI Key: ZWDFFESFCIACQC-UHFFFAOYSA-N Synonym: 5-bromobenzo c 1,2,5 oxadiazole,5-bromobenzofurazan,2,1,3-benzoxadiazole, 5-bromo,5-bromo-benzo 1,2,5 oxadiazole,2,1,3-benzoxadiazole,5-bromo,5-bromobenzfurazan,pubchem15922,acmc-209ktf,amth003,buttpark 85\04-54 PubChem CID: 2776298 IUPAC Name: 5-bromo-2,1,3-benzoxadiazole SMILES: BrC1=CC2=NON=C2C=C1
3-Methyl-5-phenyl-1H-pyrazole, Thermo Scientific Chemicals
CAS: 3347-62-4 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00022385,MFCD00524752 InChI Key: QHRSESMSOJZMCO-UHFFFAOYSA-N PubChem CID: 18774 IUPAC Name: 5-methyl-3-phenyl-1H-pyrazole SMILES: CC1=CC(=NN1)C1=CC=CC=C1
2-Ethyl-3,5(6)-dimethylpyrazine, 99%, mixture of isomers
CAS: 13925-07-0 Molecular Formula: C8H12N2 Molecular Weight (g/mol): 136.198 MDL Number: MFCD00047392 InChI Key: JZBCTZLGKSYRSF-UHFFFAOYSA-N Synonym: 3,5-dimethyl-2-ethylpyrazine,pyrazine, 2-ethyl-3,5-dimethyl,2,6-dimethyl-3-ethylpyrazine,3-ethyl-2,6-dimethylpyrazine,2-ethyl-3,5-dimethyl pyrazine,pyrazine, 2,6-dimethyl-3-ethyl,unii-r182ey5l8c,fema no. 3149,2-ethyl-3,5 6-dimethylpyrazine,pyrazine, 3,5-dimethyl-2-ethyl PubChem CID: 26334 IUPAC Name: 2-ethyl-3,5-dimethylpyrazine SMILES: CCC1=NC=C(N=C1C)C
3-Methyl-4-phenyl-1H-pyrazole, 97%
CAS: 13788-84-6 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00051752 InChI Key: XTXZCNATVCIKTR-UHFFFAOYSA-N Synonym: 3-methyl-4-phenyl-1h-pyrazole,3-methyl-4-phenylpyrazole,3-methyl-4-phenylpyrazol,3-methyl-4-phenyl-2h-pyrazole,acmc-1brbb,maybridge1_003313,5-methyl-4-phenylpyrazole,pyrazole-based inhibitor 1,3-methyl-4-phenyl-1h-pyrazol,4-phenyl-5-methyl-1h-pyrazole PubChem CID: 139601 IUPAC Name: 5-methyl-4-phenyl-1H-pyrazole SMILES: CC1=C(C=NN1)C1=CC=CC=C1
2-n-Propylthiazole, 99%
CAS: 17626-75-4 Molecular Formula: C6H9NS Molecular Weight (g/mol): 127.205 MDL Number: MFCD00053154 InChI Key: CMOIEFFAOUQJPS-UHFFFAOYSA-N PubChem CID: 87198 IUPAC Name: 2-propyl-1,3-thiazole SMILES: CCCC1=NC=CS1
3-(1H-Pyrazol-1-yl)benzonitrile, ≥97%, Thermo Scientific™
CAS: 25699-82-5 Molecular Formula: C10H7N3 Molecular Weight (g/mol): 169.19 MDL Number: MFCD07772807 InChI Key: KLZKYUMVLIQOFX-UHFFFAOYSA-N PubChem CID: 7164581 SMILES: N#CC1=CC(=CC=C1)N1C=CC=N1
Isoquinoline, 97%
CAS: 119-65-3 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.16 MDL Number: MFCD00006898,MFCD31699977 InChI Key: AWJUIBRHMBBTKR-UHFFFAOYSA-N Synonym: 2-azanaphthalene,2-benzazine,isochinolin,benzo c pyridine,beta-quinoline,2-benzanine,3,4-benzopyridine,.beta.-quinoline,isochinolin czech PubChem CID: 8405 ChEBI: CHEBI:16092 IUPAC Name: isoquinoline SMILES: C1=CC=C2C=NC=CC2=C1
1-Phenyl-1H-pyrazole, 98%
CAS: 1126-00-7 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.18 MDL Number: MFCD00003112 InChI Key: WITMXBRCQWOZPX-UHFFFAOYSA-N Synonym: 1-phenyl-1h-pyrazole,n-phenylpyrazole,1h-pyrazole, 1-phenyl,pyrazole, 1-phenyl,1-phenylpyrazol,n-phenyl pyrazole,1-phenyl pyrazole,1-phenyl-pyrazole,1-phenyl-1h-pyrazol,l-phenyl-1h-pyrazole PubChem CID: 70769 ChEBI: CHEBI:38879 IUPAC Name: 1-phenylpyrazole SMILES: C1=CN(N=C1)C1=CC=CC=C1
Thiazole, 99%
CAS: 288-47-1 Molecular Formula: C3H3NS Molecular Weight (g/mol): 85.12 MDL Number: MFCD00005315 InChI Key: FZWLAAWBMGSTSO-UHFFFAOYSA-N Synonym: thiazole,thiazol,unii-320rcw8pef,fema no. 3615,ccris 3205,320rcw8pef,lom,racemic thiazole,5h-thiazol-1-ium PubChem CID: 9256 ChEBI: CHEBI:43732 IUPAC Name: 1,3-thiazole SMILES: S1C=CN=C1