Organoheterocyclic compounds
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2,4,6-Tri(2-pyridyl)-s-triazine, 99%
CAS: 3682-35-7 Molecular Formula: C18H12N6 Molecular Weight (g/mol): 312.34 MDL Number: MFCD00006045 InChI Key: KMVWNDHKTPHDMT-UHFFFAOYSA-N Synonym: 2,4,6-tripyridyl-s-triazine,2,4,6-tris 2-pyridyl-s-triazine,2,4,6-tri 2-pyridyl-1,3,5-triazine,terpyridyl-s-triazine,2,4,6-tri 2-pyridyl-s-triazine,tptz iron reagent,1,3,5-triazine, 2,4,6-tri-2-pyridinyl,tri-2-pyridyl-s-triazine,s-triazine, tri-2-pyridyl,2,4,6-tris 2-pyridyl-1,3,5-triazine PubChem CID: 77258 SMILES: C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1
| PubChem CID | 77258 |
|---|---|
| CAS | 3682-35-7 |
| Molecular Weight (g/mol) | 312.34 |
| MDL Number | MFCD00006045 |
| SMILES | C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1 |
| Synonym | 2,4,6-tripyridyl-s-triazine,2,4,6-tris 2-pyridyl-s-triazine,2,4,6-tri 2-pyridyl-1,3,5-triazine,terpyridyl-s-triazine,2,4,6-tri 2-pyridyl-s-triazine,tptz iron reagent,1,3,5-triazine, 2,4,6-tri-2-pyridinyl,tri-2-pyridyl-s-triazine,s-triazine, tri-2-pyridyl,2,4,6-tris 2-pyridyl-1,3,5-triazine |
| InChI Key | KMVWNDHKTPHDMT-UHFFFAOYSA-N |
| Molecular Formula | C18H12N6 |
Benzimidazole-5,6-dicarboxylic acid, 97%
CAS: 10351-75-4 Molecular Formula: C9H6N2O4 Molecular Weight (g/mol): 206.16 MDL Number: MFCD03093058 InChI Key: PIPQOFRJDBZPFR-UHFFFAOYSA-N Synonym: benzimidazole-5,6-dicarboxylic acid,1h-benzo d imidazole-5,6-dicarboxylic acid,1h-1,3-benzodiazole-5,6-dicarboxylic acid,1h-benzoimidazole-5,6-dicarboxylic,1h-benzoimidazole-5,6-dicarboxylic acid,acmc-1bsyc,5,6-benzimidazoledicarboxylic acid,benzo d imidazole-5,6-dicarboxylic acid PubChem CID: 7023591 IUPAC Name: 1H-benzimidazole-5,6-dicarboxylic acid SMILES: OC(=O)C1=C(C=C2N=CNC2=C1)C(O)=O
| PubChem CID | 7023591 |
|---|---|
| CAS | 10351-75-4 |
| Molecular Weight (g/mol) | 206.16 |
| MDL Number | MFCD03093058 |
| SMILES | OC(=O)C1=C(C=C2N=CNC2=C1)C(O)=O |
| Synonym | benzimidazole-5,6-dicarboxylic acid,1h-benzo d imidazole-5,6-dicarboxylic acid,1h-1,3-benzodiazole-5,6-dicarboxylic acid,1h-benzoimidazole-5,6-dicarboxylic,1h-benzoimidazole-5,6-dicarboxylic acid,acmc-1bsyc,5,6-benzimidazoledicarboxylic acid,benzo d imidazole-5,6-dicarboxylic acid |
| IUPAC Name | 1H-benzimidazole-5,6-dicarboxylic acid |
| InChI Key | PIPQOFRJDBZPFR-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O4 |
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
| PubChem CID | 795 |
|---|---|
| CAS | 288-32-4 |
| Molecular Weight (g/mol) | 68.08 |
| ChEBI | CHEBI:16069 |
| MDL Number | MFCD00005183 |
| SMILES | N1C=CN=C1 |
| Synonym | imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole |
| IUPAC Name | 1H-imidazole |
| InChI Key | RAXXELZNTBOGNW-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2 |
7-Azaindole, 98%
CAS: 271-63-6 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 MDL Number: MFCD00005606,MFCD00075874 InChI Key: MVXVYAKCVDQRLW-UHFFFAOYSA-N Synonym: 7-azaindole,1h-pyrrolo 2,3-b pyridine,1,7-diazaindene,7h-pyrrolo 2,3-b pyridine,7-aza-1-pyrindine,1,7-dideazapurine,1 h-pyrrolo 2,3:b pyridine,7-aza indole,unii-qx4465nr9t PubChem CID: 9222 IUPAC Name: 1H-pyrrolo[2,3-b]pyridine SMILES: N1C=CC2=CC=CN=C12
| PubChem CID | 9222 |
|---|---|
| CAS | 271-63-6 |
| Molecular Weight (g/mol) | 118.14 |
| MDL Number | MFCD00005606,MFCD00075874 |
| SMILES | N1C=CC2=CC=CN=C12 |
| Synonym | 7-azaindole,1h-pyrrolo 2,3-b pyridine,1,7-diazaindene,7h-pyrrolo 2,3-b pyridine,7-aza-1-pyrindine,1,7-dideazapurine,1 h-pyrrolo 2,3:b pyridine,7-aza indole,unii-qx4465nr9t |
| IUPAC Name | 1H-pyrrolo[2,3-b]pyridine |
| InChI Key | MVXVYAKCVDQRLW-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2 |
5-Mercapto-1-methyltetrazole, 98%
CAS: 13183-79-4 Molecular Formula: C2H4N4S Molecular Weight (g/mol): 116.14 MDL Number: MFCD00037317 InChI Key: XOHZHMUQBFJTNH-UHFFFAOYSA-N Synonym: 5-mercapto-1-methyltetrazole,1-methyl-5-mercaptotetrazole,1-methyl-1h-tetrazole-5-thiol,1-n-methyl-5-thiotetrazole,1-methyltetrazole-5-thiol,n-methyltetrazolethiol,1-methyl-5-tetrazolethione,1-methyl-5-mercapto-1h-tetrazole,1-methyl-5-mercapto-1,2,3,4-tetrazole,5h-tetrazole-5-thione, 1,2-dihydro-1-methyl PubChem CID: 2723772 IUPAC Name: 1-methyl-2H-tetrazole-5-thione SMILES: CN1NN=NC1=S
| PubChem CID | 2723772 |
|---|---|
| CAS | 13183-79-4 |
| Molecular Weight (g/mol) | 116.14 |
| MDL Number | MFCD00037317 |
| SMILES | CN1NN=NC1=S |
| Synonym | 5-mercapto-1-methyltetrazole,1-methyl-5-mercaptotetrazole,1-methyl-1h-tetrazole-5-thiol,1-n-methyl-5-thiotetrazole,1-methyltetrazole-5-thiol,n-methyltetrazolethiol,1-methyl-5-tetrazolethione,1-methyl-5-mercapto-1h-tetrazole,1-methyl-5-mercapto-1,2,3,4-tetrazole,5h-tetrazole-5-thione, 1,2-dihydro-1-methyl |
| IUPAC Name | 1-methyl-2H-tetrazole-5-thione |
| InChI Key | XOHZHMUQBFJTNH-UHFFFAOYSA-N |
| Molecular Formula | C2H4N4S |
2,4,6-Tris(2-pyridyl)-s-triazine, For Spectrophotometric Det. of Fe, 99.0% (HPLC), MilliporeSigma™ Supelco™
CAS: 3682-35-7 Molecular Formula: C18H12N6 Molecular Weight (g/mol): 312.34 MDL Number: MFCD00006045 InChI Key: KMVWNDHKTPHDMT-UHFFFAOYSA-N Synonym: 2,4,6-Tri(2-pyridyl)-s-triazine; TPTZ IUPAC Name: tris(pyridin-2-yl)-1,3,5-triazine SMILES: C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1
| CAS | 3682-35-7 |
|---|---|
| Molecular Weight (g/mol) | 312.34 |
| MDL Number | MFCD00006045 |
| SMILES | C1=CC=C(N=C1)C1=NC(=NC(=N1)C1=CC=CC=N1)C1=CC=CC=N1 |
| Synonym | 2,4,6-Tri(2-pyridyl)-s-triazine; TPTZ |
| IUPAC Name | tris(pyridin-2-yl)-1,3,5-triazine |
| InChI Key | KMVWNDHKTPHDMT-UHFFFAOYSA-N |
| Molecular Formula | C18H12N6 |
3-Thiophenesulfonyl chloride, ≥95%, Thermo Scientific™
CAS: 51175-71-4 Molecular Formula: C4H3ClO2S2 Molecular Weight (g/mol): 182.64 MDL Number: MFCD02682011 InChI Key: YSPWSQNKRBSICH-UHFFFAOYSA-N Synonym: 3-thiophenesulfonyl chloride,3-thiophenesulfonylchloride,chloro-3-thienylsulfone,acmc-209ksa,3-thienylsulfonyl chloride,3-thiophenesulphonylchloride,3-thienyl-sulfonyl chloride,3-chlorosulphonyl thiophene,3-thienyl sulfonyl chloride,3-thiophene sulfonyl chloride PubChem CID: 2776378 IUPAC Name: thiophene-3-sulfonyl chloride SMILES: ClS(=O)(=O)C1=CSC=C1
| PubChem CID | 2776378 |
|---|---|
| CAS | 51175-71-4 |
| Molecular Weight (g/mol) | 182.64 |
| MDL Number | MFCD02682011 |
| SMILES | ClS(=O)(=O)C1=CSC=C1 |
| Synonym | 3-thiophenesulfonyl chloride,3-thiophenesulfonylchloride,chloro-3-thienylsulfone,acmc-209ksa,3-thienylsulfonyl chloride,3-thiophenesulphonylchloride,3-thienyl-sulfonyl chloride,3-chlorosulphonyl thiophene,3-thienyl sulfonyl chloride,3-thiophene sulfonyl chloride |
| IUPAC Name | thiophene-3-sulfonyl chloride |
| InChI Key | YSPWSQNKRBSICH-UHFFFAOYSA-N |
| Molecular Formula | C4H3ClO2S2 |
6-Aminobenzothiazole, 98+%
CAS: 533-30-2 Molecular Formula: C7H6N2S Molecular Weight (g/mol): 150.199 MDL Number: MFCD00015461 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 |
| MDL Number | MFCD00015461 |
| 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 |
3-Methylindole, 99%
CAS: 83-34-1 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.178 MDL Number: MFCD00005627 InChI Key: ZFRKQXVRDFCRJG-UHFFFAOYSA-N Synonym: 3-methylindole,skatole,scatole,skatol,1h-indole, 3-methyl,beta-methylindole,indole, 3-methyl,3-mi,3-methyl-4,5-benzopyrrole,3-methyl indole PubChem CID: 6736 ChEBI: CHEBI:9171 IUPAC Name: 3-methyl-1H-indole SMILES: CC1=CNC2=CC=CC=C12
| PubChem CID | 6736 |
|---|---|
| CAS | 83-34-1 |
| Molecular Weight (g/mol) | 131.178 |
| ChEBI | CHEBI:9171 |
| MDL Number | MFCD00005627 |
| SMILES | CC1=CNC2=CC=CC=C12 |
| Synonym | 3-methylindole,skatole,scatole,skatol,1h-indole, 3-methyl,beta-methylindole,indole, 3-methyl,3-mi,3-methyl-4,5-benzopyrrole,3-methyl indole |
| IUPAC Name | 3-methyl-1H-indole |
| InChI Key | ZFRKQXVRDFCRJG-UHFFFAOYSA-N |
| Molecular Formula | C9H9N |
2-Isobutylpyridine, 99%, Thermo Scientific Chemicals
CAS: 6304-24-1 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD02262142 InChI Key: BBVSPSDWPYWMOR-UHFFFAOYSA-N Synonym: 2-isobutylpyridine,2-2-methylpropyl pyridine,2-isobutyl pyridine,pyridine, 2-2-methylpropyl,unii-gs3k23h1q8,pyridine, 2-isobutyl,fema no. 3370,2-isobutyl-pyridin,2-isobutyl-pyridine,acmc-1b4hh PubChem CID: 61385 IUPAC Name: 2-(2-methylpropyl)pyridine SMILES: CC(C)CC1=CC=CC=N1
| PubChem CID | 61385 |
|---|---|
| CAS | 6304-24-1 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD02262142 |
| SMILES | CC(C)CC1=CC=CC=N1 |
| Synonym | 2-isobutylpyridine,2-2-methylpropyl pyridine,2-isobutyl pyridine,pyridine, 2-2-methylpropyl,unii-gs3k23h1q8,pyridine, 2-isobutyl,fema no. 3370,2-isobutyl-pyridin,2-isobutyl-pyridine,acmc-1b4hh |
| IUPAC Name | 2-(2-methylpropyl)pyridine |
| InChI Key | BBVSPSDWPYWMOR-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
5-(4-Morpholinyl)-2-nitrophenol, 97%
CAS: 175135-19-0 Molecular Formula: C10H12N2O4 Molecular Weight (g/mol): 224.216 MDL Number: MFCD00053057 InChI Key: XXIIDARBNMZFEH-UHFFFAOYSA-N Synonym: 5-morpholino-2-nitrophenol,5-4-morpholinyl-2-nitrophenol,5-4-morpholino-2-nitrophenol,5-morpholin-4-yl-2-nitrophenol,5-morpholin-4-yl-2-nitro-phenolate,maybridge1_001296,acmc-1c6gm,2-nitro-5-morpholinophenol,5-morpholin-4-yl-2-nitro-phenol,n-3-hydroxy-4-nitrophenyl morpholine PubChem CID: 2799399 IUPAC Name: 5-morpholin-4-yl-2-nitrophenol SMILES: C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])O
| PubChem CID | 2799399 |
|---|---|
| CAS | 175135-19-0 |
| Molecular Weight (g/mol) | 224.216 |
| MDL Number | MFCD00053057 |
| SMILES | C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])O |
| Synonym | 5-morpholino-2-nitrophenol,5-4-morpholinyl-2-nitrophenol,5-4-morpholino-2-nitrophenol,5-morpholin-4-yl-2-nitrophenol,5-morpholin-4-yl-2-nitro-phenolate,maybridge1_001296,acmc-1c6gm,2-nitro-5-morpholinophenol,5-morpholin-4-yl-2-nitro-phenol,n-3-hydroxy-4-nitrophenyl morpholine |
| IUPAC Name | 5-morpholin-4-yl-2-nitrophenol |
| InChI Key | XXIIDARBNMZFEH-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2O4 |
2-Morpholino-5-(trifluoromethyl)benzoic acid, 97%, Thermo Scientific™
CAS: 865471-20-1 Molecular Formula: C12H12F3NO3 Molecular Weight (g/mol): 275.227 MDL Number: MFCD09025883 InChI Key: PRECFTDWCNEEDB-UHFFFAOYSA-N Synonym: 2-morpholino-5-trifluoromethyl benzoic acid,2-morpholin-4-yl-5-trifluoromethyl benzoic acid,benzoic acid,2-4-morpholinyl-5-trifluoromethyl PubChem CID: 24229572 IUPAC Name: 2-morpholin-4-yl-5-(trifluoromethyl)benzoic acid SMILES: C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)C(=O)O
| PubChem CID | 24229572 |
|---|---|
| CAS | 865471-20-1 |
| Molecular Weight (g/mol) | 275.227 |
| MDL Number | MFCD09025883 |
| SMILES | C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)C(=O)O |
| Synonym | 2-morpholino-5-trifluoromethyl benzoic acid,2-morpholin-4-yl-5-trifluoromethyl benzoic acid,benzoic acid,2-4-morpholinyl-5-trifluoromethyl |
| IUPAC Name | 2-morpholin-4-yl-5-(trifluoromethyl)benzoic acid |
| InChI Key | PRECFTDWCNEEDB-UHFFFAOYSA-N |
| Molecular Formula | C12H12F3NO3 |
Ethyl 2-morpholinobenzoate, 97%, Thermo Scientific™
CAS: 192817-79-1 Molecular Formula: C13H17NO3 Molecular Weight (g/mol): 235.283 MDL Number: MFCD06204497 InChI Key: UIVDSGDHUXOYDW-UHFFFAOYSA-N Synonym: ethyl 2-morpholinobenzoate,ethyl 2-morpholin-4-yl benzoate,2-morpholin-4-yl-benzoic acid ethyl ester,benzoic acid,2-4-morpholinyl-,ethyl ester,2-morpholin-4-ylbenzoic acid ethyl ester,benzoic acid,2-4-morpholinyl-, ethyl ester PubChem CID: 7148401 IUPAC Name: ethyl 2-morpholin-4-ylbenzoate SMILES: CCOC(=O)C1=CC=CC=C1N2CCOCC2
| PubChem CID | 7148401 |
|---|---|
| CAS | 192817-79-1 |
| Molecular Weight (g/mol) | 235.283 |
| MDL Number | MFCD06204497 |
| SMILES | CCOC(=O)C1=CC=CC=C1N2CCOCC2 |
| Synonym | ethyl 2-morpholinobenzoate,ethyl 2-morpholin-4-yl benzoate,2-morpholin-4-yl-benzoic acid ethyl ester,benzoic acid,2-4-morpholinyl-,ethyl ester,2-morpholin-4-ylbenzoic acid ethyl ester,benzoic acid,2-4-morpholinyl-, ethyl ester |
| IUPAC Name | ethyl 2-morpholin-4-ylbenzoate |
| InChI Key | UIVDSGDHUXOYDW-UHFFFAOYSA-N |
| Molecular Formula | C13H17NO3 |
3,4-Dihydro-2H-1,4-benzoxazine, 97%
CAS: 5735-53-5 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.166 MDL Number: MFCD02181098 InChI Key: YRLORWPBJZEGBX-UHFFFAOYSA-N Synonym: benzomorpholine,3,4-dihydro-2h-benzo b 1,4 oxazine,3,4-dihydro-2h-benzo 1,4 oxazine,2h-1,4-benzoxazine, 3,4-dihydro,2,3-dihydro-1,4-benzoxazine,akos bc-1149,3,4-dihydro-2h-1,4-benzoxazin,pubchem22677,acmc-1amxt,3,4-dihydro-2h-1,4-benzooxazine PubChem CID: 585096 IUPAC Name: 3,4-dihydro-2H-1,4-benzoxazine SMILES: C1COC2=CC=CC=C2N1
| PubChem CID | 585096 |
|---|---|
| CAS | 5735-53-5 |
| Molecular Weight (g/mol) | 135.166 |
| MDL Number | MFCD02181098 |
| SMILES | C1COC2=CC=CC=C2N1 |
| Synonym | benzomorpholine,3,4-dihydro-2h-benzo b 1,4 oxazine,3,4-dihydro-2h-benzo 1,4 oxazine,2h-1,4-benzoxazine, 3,4-dihydro,2,3-dihydro-1,4-benzoxazine,akos bc-1149,3,4-dihydro-2h-1,4-benzoxazin,pubchem22677,acmc-1amxt,3,4-dihydro-2h-1,4-benzooxazine |
| IUPAC Name | 3,4-dihydro-2H-1,4-benzoxazine |
| InChI Key | YRLORWPBJZEGBX-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |