Organoheterocyclic compounds
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(2-Methyl-1,3-thiazol-4-yl)methylamine, 97%, Thermo Scientific™
CAS: 103694-26-4 Molecular Formula: C5H8N2S Molecular Weight (g/mol): 128.193 MDL Number: MFCD06212804 InChI Key: ZCKAEFOHSOQKHN-UHFFFAOYSA-N Synonym: 2-methylthiazol-4-yl methanamine,2-methyl-1,3-thiazole-4-methylamine,2-methyl-1,3-thiazol-4-yl methanamine,2-methyl-1,3-thiazol-4-yl methylamine,c-2-methyl-thiazol-4-yl-methylamine,4-thiazolemethanamine, 2-methyl,4-thiazolemethanamine,2-methyl,4-aminomethyl-2-methyl-1,3-thiazole,1-2-methyl-1,3-thiazol-4-yl methanamine,2-methylthiazol-4-yl methylamine PubChem CID: 18467479 IUPAC Name: (2-methyl-1,3-thiazol-4-yl)methanamine SMILES: CC1=NC(=CS1)CN
| PubChem CID | 18467479 |
|---|---|
| CAS | 103694-26-4 |
| Molecular Weight (g/mol) | 128.193 |
| MDL Number | MFCD06212804 |
| SMILES | CC1=NC(=CS1)CN |
| Synonym | 2-methylthiazol-4-yl methanamine,2-methyl-1,3-thiazole-4-methylamine,2-methyl-1,3-thiazol-4-yl methanamine,2-methyl-1,3-thiazol-4-yl methylamine,c-2-methyl-thiazol-4-yl-methylamine,4-thiazolemethanamine, 2-methyl,4-thiazolemethanamine,2-methyl,4-aminomethyl-2-methyl-1,3-thiazole,1-2-methyl-1,3-thiazol-4-yl methanamine,2-methylthiazol-4-yl methylamine |
| IUPAC Name | (2-methyl-1,3-thiazol-4-yl)methanamine |
| InChI Key | ZCKAEFOHSOQKHN-UHFFFAOYSA-N |
| Molecular Formula | C5H8N2S |
3-Furoic acid, 99%
CAS: 488-93-7 Molecular Formula: C5H4O3 Molecular Weight (g/mol): 112.08 MDL Number: MFCD00005350 InChI Key: IHCCAYCGZOLTEU-UHFFFAOYSA-N Synonym: 3-furoic acid,3-furancarboxylic acid,3-carboxyfuran,3-furanoic acid,unii-88a3s7rg98,3-furoate,3-furans,3-furanoate,pubchem6945,acmc-209kee PubChem CID: 10268 ChEBI: CHEBI:30846 IUPAC Name: furan-3-carboxylic acid SMILES: OC(=O)C1=COC=C1
| PubChem CID | 10268 |
|---|---|
| CAS | 488-93-7 |
| Molecular Weight (g/mol) | 112.08 |
| ChEBI | CHEBI:30846 |
| MDL Number | MFCD00005350 |
| SMILES | OC(=O)C1=COC=C1 |
| Synonym | 3-furoic acid,3-furancarboxylic acid,3-carboxyfuran,3-furanoic acid,unii-88a3s7rg98,3-furoate,3-furans,3-furanoate,pubchem6945,acmc-209kee |
| IUPAC Name | furan-3-carboxylic acid |
| InChI Key | IHCCAYCGZOLTEU-UHFFFAOYSA-N |
| Molecular Formula | C5H4O3 |
4-Fluoro-7-nitrobenzofurazan
CAS: 29270-56-2 Molecular Formula: C6H2FN3O3 Molecular Weight (g/mol): 183.098 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-]
| PubChem CID | 122123 |
|---|---|
| CAS | 29270-56-2 |
| Molecular Weight (g/mol) | 183.098 |
| MDL Number | MFCD00010196 |
| SMILES | C1=C(C2=NON=C2C(=C1)F)[N+](=O)[O-] |
| 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 |
| IUPAC Name | 4-fluoro-7-nitro-2,1,3-benzoxadiazole |
| InChI Key | PGZIDERTDJHJFY-UHFFFAOYSA-N |
| Molecular Formula | C6H2FN3O3 |
ethyle2-(2-methyl-1,3-thiazol-4-yl)acetate, 95%, Thermo Scientific™
CAS: 37128-24-8 Molecular Formula: C8H11NO2S Molecular Weight (g/mol): 185.241 MDL Number: MFCD00052519 InChI Key: DWSMURKWFWKPBT-UHFFFAOYSA-N Synonym: ethyl 2-2-methyl-1,3-thiazol-4-yl acetate,2-methyl-thiazol-4-yl-acetic acid ethyl ester,2-methylthiazole-4-acetic acid ethyl ester,ethyl 2-methyl-1,3-thiazol-4-yl acetate,ethyl 2-2-methylthiazol-4-yl acetate,4-thiazoleacetic acid,2-methyl-, ethyl ester,enamine_005349,ethyl=2-methylthiazol-4-ylacetate,2-methylthiazol-4-yl acetic acid ethyl ester,4-thiazoleacetic acid, 2-methyl-, ethyl ester PubChem CID: 854815 IUPAC Name: ethyl 2-(2-methyl-1,3-thiazol-4-yl)acetate SMILES: CCOC(=O)CC1=CSC(=N1)C
| PubChem CID | 854815 |
|---|---|
| CAS | 37128-24-8 |
| Molecular Weight (g/mol) | 185.241 |
| MDL Number | MFCD00052519 |
| SMILES | CCOC(=O)CC1=CSC(=N1)C |
| Synonym | ethyl 2-2-methyl-1,3-thiazol-4-yl acetate,2-methyl-thiazol-4-yl-acetic acid ethyl ester,2-methylthiazole-4-acetic acid ethyl ester,ethyl 2-methyl-1,3-thiazol-4-yl acetate,ethyl 2-2-methylthiazol-4-yl acetate,4-thiazoleacetic acid,2-methyl-, ethyl ester,enamine_005349,ethyl=2-methylthiazol-4-ylacetate,2-methylthiazol-4-yl acetic acid ethyl ester,4-thiazoleacetic acid, 2-methyl-, ethyl ester |
| IUPAC Name | ethyl 2-(2-methyl-1,3-thiazol-4-yl)acetate |
| InChI Key | DWSMURKWFWKPBT-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2S |
4-Iodotetrahydrothiopyran, 97%, Thermo Scientific™
CAS: 281204-90-8 Molecular Formula: C5H9IS Molecular Weight (g/mol): 228.09 MDL Number: MFCD09025908 InChI Key: JVBIONNYIWEILC-UHFFFAOYSA-N Synonym: 4-iodotetrahydrothiopyran,4-iodotetrahydro-2h-thiopyran,2h-thiopyran,tetrahydro-4-iodo PubChem CID: 18525911 IUPAC Name: 4-iodothiane SMILES: IC1CCSCC1
| PubChem CID | 18525911 |
|---|---|
| CAS | 281204-90-8 |
| Molecular Weight (g/mol) | 228.09 |
| MDL Number | MFCD09025908 |
| SMILES | IC1CCSCC1 |
| Synonym | 4-iodotetrahydrothiopyran,4-iodotetrahydro-2h-thiopyran,2h-thiopyran,tetrahydro-4-iodo |
| IUPAC Name | 4-iodothiane |
| InChI Key | JVBIONNYIWEILC-UHFFFAOYSA-N |
| Molecular Formula | C5H9IS |
3-(Chloromethyl)-1-methyl-5-thien-2-yl-1H-pyrazole, ≥97%, Thermo Scientific™
CAS: 876316-61-9 Molecular Formula: C9H9ClN2S Molecular Weight (g/mol): 212.70 MDL Number: MFCD08435883 InChI Key: ODLZAEGCJDMPOT-UHFFFAOYSA-N Synonym: 3-chloromethyl-1-methyl-5-thien-2-yl-1h-pyrazole,3-chloromethyl-1-methyl-5-thiophen-2-yl pyrazole,1h-pyrazole,3-chloromethyl-1-methyl-5-2-thienyl,3-chloromethyl-1-methyl-5-thiophen-2-yl-1h-pyrazole,2-3-chloromethyl-1-methylpyrazol-5-yl thiophene PubChem CID: 18525807 IUPAC Name: 3-(chloromethyl)-1-methyl-5-thiophen-2-ylpyrazole SMILES: CN1N=C(CCl)C=C1C1=CC=CS1
| PubChem CID | 18525807 |
|---|---|
| CAS | 876316-61-9 |
| Molecular Weight (g/mol) | 212.70 |
| MDL Number | MFCD08435883 |
| SMILES | CN1N=C(CCl)C=C1C1=CC=CS1 |
| Synonym | 3-chloromethyl-1-methyl-5-thien-2-yl-1h-pyrazole,3-chloromethyl-1-methyl-5-thiophen-2-yl pyrazole,1h-pyrazole,3-chloromethyl-1-methyl-5-2-thienyl,3-chloromethyl-1-methyl-5-thiophen-2-yl-1h-pyrazole,2-3-chloromethyl-1-methylpyrazol-5-yl thiophene |
| IUPAC Name | 3-(chloromethyl)-1-methyl-5-thiophen-2-ylpyrazole |
| InChI Key | ODLZAEGCJDMPOT-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClN2S |
3-Pyrimidin-5-ylaniline, ≥97%, Thermo Scientific™
CAS: 69491-59-4 Molecular Formula: C10H9N3 Molecular Weight (g/mol): 171.203 MDL Number: MFCD06802522 InChI Key: DZEIKJMNXHOFHL-UHFFFAOYSA-N PubChem CID: 7162049 IUPAC Name: 3-pyrimidin-5-ylaniline SMILES: C1=CC(=CC(=C1)N)C2=CN=CN=C2
| PubChem CID | 7162049 |
|---|---|
| CAS | 69491-59-4 |
| Molecular Weight (g/mol) | 171.203 |
| MDL Number | MFCD06802522 |
| SMILES | C1=CC(=CC(=C1)N)C2=CN=CN=C2 |
| IUPAC Name | 3-pyrimidin-5-ylaniline |
| InChI Key | DZEIKJMNXHOFHL-UHFFFAOYSA-N |
| Molecular Formula | C10H9N3 |
2-Bromo-5-nitrothiophene, 97%
CAS: 13195-50-1 Molecular Formula: C4H2BrNO2S Molecular Weight (g/mol): 208.029 MDL Number: MFCD00022493 InChI Key: ZPNFMDYBAQDFDY-UHFFFAOYSA-N PubChem CID: 83222 IUPAC Name: 2-bromo-5-nitrothiophene SMILES: C1=C(SC(=C1)Br)[N+](=O)[O-]
| PubChem CID | 83222 |
|---|---|
| CAS | 13195-50-1 |
| Molecular Weight (g/mol) | 208.029 |
| MDL Number | MFCD00022493 |
| SMILES | C1=C(SC(=C1)Br)[N+](=O)[O-] |
| IUPAC Name | 2-bromo-5-nitrothiophene |
| InChI Key | ZPNFMDYBAQDFDY-UHFFFAOYSA-N |
| Molecular Formula | C4H2BrNO2S |
N-Arachidonoyl-serotonin, 98%, Thermo Scientific Chemicals
CAS: 187947-37-1 Molecular Formula: C30H42N2O2 Molecular Weight (g/mol): 462.68 MDL Number: MFCD02179189 InChI Key: QJDNHGXNNRLIGA-UHFFFAOYSA-N Synonym: n-arachidonoyl-serotonin PubChem CID: 53394325 IUPAC Name: N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosa-5,8,11,14-tetraenamide SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCC1=CNC2=CC=C(O)C=C12
| PubChem CID | 53394325 |
|---|---|
| CAS | 187947-37-1 |
| Molecular Weight (g/mol) | 462.68 |
| MDL Number | MFCD02179189 |
| SMILES | CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCC1=CNC2=CC=C(O)C=C12 |
| Synonym | n-arachidonoyl-serotonin |
| IUPAC Name | N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]icosa-5,8,11,14-tetraenamide |
| InChI Key | QJDNHGXNNRLIGA-UHFFFAOYSA-N |
| Molecular Formula | C30H42N2O2 |
4-Phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid, 95%, Thermo Scientific™
CAS: 208108-76-3 Molecular Formula: C12H7F3O2S Molecular Weight (g/mol): 272.241 InChI Key: GIUAGKGTDDIMHB-UHFFFAOYSA-N Synonym: 4-phenyl-5-trifluoromethyl thiophene-2-carboxylic acid,4-phenyl-5-trifluoromethyl-2-thiophenecarboxylic acid,2-thiophenecarboxylic acid, 4-phenyl-5-trifluoromethyl,2-thiophenecarboxylicacid, 4-phenyl-5-trifluoromethyl,maybridge3_006560,4-phenyl-5-trifluoromethyl-thiophene-2-carboxylic acid,4-phenyl-5-trifluoromethyl-2-thiophene carboxylic acid PubChem CID: 2783372 IUPAC Name: 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid SMILES: C1=CC=C(C=C1)C2=C(SC(=C2)C(=O)O)C(F)(F)F
| PubChem CID | 2783372 |
|---|---|
| CAS | 208108-76-3 |
| Molecular Weight (g/mol) | 272.241 |
| SMILES | C1=CC=C(C=C1)C2=C(SC(=C2)C(=O)O)C(F)(F)F |
| Synonym | 4-phenyl-5-trifluoromethyl thiophene-2-carboxylic acid,4-phenyl-5-trifluoromethyl-2-thiophenecarboxylic acid,2-thiophenecarboxylic acid, 4-phenyl-5-trifluoromethyl,2-thiophenecarboxylicacid, 4-phenyl-5-trifluoromethyl,maybridge3_006560,4-phenyl-5-trifluoromethyl-thiophene-2-carboxylic acid,4-phenyl-5-trifluoromethyl-2-thiophene carboxylic acid |
| IUPAC Name | 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid |
| InChI Key | GIUAGKGTDDIMHB-UHFFFAOYSA-N |
| Molecular Formula | C12H7F3O2S |
3-Quinuclidinone hydrochloride, 98+%, Thermo Scientific Chemicals
CAS: 1193-65-3 Molecular Formula: C7H12ClNO Molecular Weight (g/mol): 161.629 MDL Number: MFCD00137391 InChI Key: RFDPHKHXPMDJJD-UHFFFAOYSA-N Synonym: 3-quinuclidinone hydrochloride,quinuclidin-3-one hydrochloride,3-quinuclidone hydrochloride,1-azabicyclo 2.2.2 octan-3-one hydrochloride,3-quinuclidnone hydrochloride,1-azabicyclo 2.2.2 octan-3-one, hydrochloride,1-aza-3-oxobicyclo 2.2.2 octane,quinuclidin-3-one, chloride,1-azabicyclo 2.2.2 octan-3-one, hydrochloride 1:1 PubChem CID: 102019 IUPAC Name: 1-azabicyclo[2.2.2]octan-3-one;hydrochloride SMILES: C1CN2CCC1C(=O)C2.Cl
| PubChem CID | 102019 |
|---|---|
| CAS | 1193-65-3 |
| Molecular Weight (g/mol) | 161.629 |
| MDL Number | MFCD00137391 |
| SMILES | C1CN2CCC1C(=O)C2.Cl |
| Synonym | 3-quinuclidinone hydrochloride,quinuclidin-3-one hydrochloride,3-quinuclidone hydrochloride,1-azabicyclo 2.2.2 octan-3-one hydrochloride,3-quinuclidnone hydrochloride,1-azabicyclo 2.2.2 octan-3-one, hydrochloride,1-aza-3-oxobicyclo 2.2.2 octane,quinuclidin-3-one, chloride,1-azabicyclo 2.2.2 octan-3-one, hydrochloride 1:1 |
| IUPAC Name | 1-azabicyclo[2.2.2]octan-3-one;hydrochloride |
| InChI Key | RFDPHKHXPMDJJD-UHFFFAOYSA-N |
| Molecular Formula | C7H12ClNO |
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
| PubChem CID | 11229454 |
|---|---|
| CAS | 31410-07-8 |
| Molecular Weight (g/mol) | 203.08 |
| MDL Number | MFCD08277003 |
| SMILES | [Br-].C[N+]1=CN(CC=C)C=C1 |
| 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 |
| InChI Key | KLFDZFIZKMEUGI-UHFFFAOYSA-M |
| Molecular Formula | C7H11BrN2 |
1-Ethyl-3-methylimidazolium iodide, 97%
CAS: 35935-34-3 Molecular Formula: C6H11IN2 Molecular Weight (g/mol): 238.07 MDL Number: MFCD03701101 InChI Key: IKQCDTXBZKMPBB-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium iodide,1-ethyl-3-methylimidazoliumiodide,1-ethyl-3-methyl-1h-imidazol-3-ium iodide,acmc-209ik2,dsstox_cid_29137,dsstox_rid_83356,dsstox_gsid_49281,ksc495i0n,1-ethyl-3-methyl imidazolium iodide salt PubChem CID: 11075478 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;iodide SMILES: [I-].CCN1C=C[N+](C)=C1
| PubChem CID | 11075478 |
|---|---|
| CAS | 35935-34-3 |
| Molecular Weight (g/mol) | 238.07 |
| MDL Number | MFCD03701101 |
| SMILES | [I-].CCN1C=C[N+](C)=C1 |
| Synonym | 1-ethyl-3-methylimidazolium iodide,1-ethyl-3-methylimidazoliumiodide,1-ethyl-3-methyl-1h-imidazol-3-ium iodide,acmc-209ik2,dsstox_cid_29137,dsstox_rid_83356,dsstox_gsid_49281,ksc495i0n,1-ethyl-3-methyl imidazolium iodide salt |
| IUPAC Name | 1-ethyl-3-methylimidazol-3-ium;iodide |
| InChI Key | IKQCDTXBZKMPBB-UHFFFAOYSA-M |
| Molecular Formula | C6H11IN2 |
Thiamine nitrate
CAS: 532-43-4 Molecular Formula: C12H17N5O4S Molecular Weight (g/mol): 327.36 MDL Number: MFCD00036330 InChI Key: UIERGBJEBXXIGO-UHFFFAOYSA-N Synonym: thiamine nitrate,thiamine mononitrate,vitamin b1 nitrate,vitamin b1 mononitrate,aneurine mononitrate,aneurine nitrate,betabion mononitrate,thiamine nitrate salt,vitamin b sub 1 nitrate,thiamine mononitrate usp PubChem CID: 10762 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;nitrate SMILES: [O-][N+]([O-])=O.CC1=C(CCO)[S+]=CN1CC1=CN=C(C)N=C1N
| PubChem CID | 10762 |
|---|---|
| CAS | 532-43-4 |
| Molecular Weight (g/mol) | 327.36 |
| MDL Number | MFCD00036330 |
| SMILES | [O-][N+]([O-])=O.CC1=C(CCO)[S+]=CN1CC1=CN=C(C)N=C1N |
| Synonym | thiamine nitrate,thiamine mononitrate,vitamin b1 nitrate,vitamin b1 mononitrate,aneurine mononitrate,aneurine nitrate,betabion mononitrate,thiamine nitrate salt,vitamin b sub 1 nitrate,thiamine mononitrate usp |
| IUPAC Name | 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;nitrate |
| InChI Key | UIERGBJEBXXIGO-UHFFFAOYSA-N |
| Molecular Formula | C12H17N5O4S |
delta-Hexanolactone, 98%
CAS: 823-22-3 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00083574 InChI Key: RZTOWFMDBDPERY-UHFFFAOYSA-N Synonym: delta-hexalactone,delta-hexanolactone,delta-caprolactone,5-methyl-delta-valerolactone,5-hydroxyhexanoic acid lactone,tetrahydro-6-methyl-2h-pyran-2-one,2h-pyran-2-one, tetrahydro-6-methyl,.delta.-caprolactone,6-methylvalerolactone,hexanolactone PubChem CID: 13204 IUPAC Name: 6-methyloxan-2-one SMILES: CC1CCCC(=O)O1
| PubChem CID | 13204 |
|---|---|
| CAS | 823-22-3 |
| Molecular Weight (g/mol) | 114.144 |
| MDL Number | MFCD00083574 |
| SMILES | CC1CCCC(=O)O1 |
| Synonym | delta-hexalactone,delta-hexanolactone,delta-caprolactone,5-methyl-delta-valerolactone,5-hydroxyhexanoic acid lactone,tetrahydro-6-methyl-2h-pyran-2-one,2h-pyran-2-one, tetrahydro-6-methyl,.delta.-caprolactone,6-methylvalerolactone,hexanolactone |
| IUPAC Name | 6-methyloxan-2-one |
| InChI Key | RZTOWFMDBDPERY-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |