Organic acids and derivatives
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S-Ethyl Thioacetate 98.0+%, TCI America™
CAS: 625-60-5 Molecular Formula: C4H8OS Molecular Weight (g/mol): 104.167 MDL Number: MFCD00015178 InChI Key: APTGPWJUOYMUCE-UHFFFAOYSA-N Synonym: s-ethyl thioacetate,ethanethioic acid, ethyl ester,ethanethioic acid, s-ethyl ester,ethyl thiolacetate,ethyl ethanethioate,ethanethioic acid s-ethyl ester,s-ethyl thiolacetate,acetic acid, thio-, ethyl ester,thioethyl compound,acetic acid, thio-, s-ethyl ester PubChem CID: 61171 IUPAC Name: S-ethyl ethanethioate SMILES: CCSC(=O)C
| PubChem CID | 61171 |
|---|---|
| CAS | 625-60-5 |
| Molecular Weight (g/mol) | 104.167 |
| MDL Number | MFCD00015178 |
| SMILES | CCSC(=O)C |
| Synonym | s-ethyl thioacetate,ethanethioic acid, ethyl ester,ethanethioic acid, s-ethyl ester,ethyl thiolacetate,ethyl ethanethioate,ethanethioic acid s-ethyl ester,s-ethyl thiolacetate,acetic acid, thio-, ethyl ester,thioethyl compound,acetic acid, thio-, s-ethyl ester |
| IUPAC Name | S-ethyl ethanethioate |
| InChI Key | APTGPWJUOYMUCE-UHFFFAOYSA-N |
| Molecular Formula | C4H8OS |
2-(2-Ethoxyethoxy)ethyl Acrylate (stabilized with MEHQ) 98.0+%, TCI America™
CAS: 7328-17-8 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 InChI Key: FTALTLPZDVFJSS-UHFFFAOYSA-N Synonym: Acrylic Acid 2-(2-Ethoxyethoxy)ethyl Ester, Diethylene Glycol Monoethyl Ether Acrylate PubChem CID: 81766 IUPAC Name: 2-(2-ethoxyethoxy)ethyl prop-2-enoate SMILES: CCOCCOCCOC(=O)C=C
| PubChem CID | 81766 |
|---|---|
| CAS | 7328-17-8 |
| Molecular Weight (g/mol) | 188.223 |
| SMILES | CCOCCOCCOC(=O)C=C |
| Synonym | Acrylic Acid 2-(2-Ethoxyethoxy)ethyl Ester, Diethylene Glycol Monoethyl Ether Acrylate |
| IUPAC Name | 2-(2-ethoxyethoxy)ethyl prop-2-enoate |
| InChI Key | FTALTLPZDVFJSS-UHFFFAOYSA-N |
| Molecular Formula | C9H16O4 |
Sodium 2-Methyl-2-propene-1-sulfonate 98.0+%, TCI America™
CAS: 1561-92-8 Molecular Formula: C4H7NaO3S Molecular Weight (g/mol): 158.15 MDL Number: MFCD00065344 InChI Key: SZHIIIPPJJXYRY-UHFFFAOYSA-M Synonym: Methallylsulfonic Acid Sodium Salt, Sodium Methallylsulfonate, 2-Methyl-2-propene-1-sulfonic Acid Sodium Salt PubChem CID: 23663624 IUPAC Name: sodium 2-methylprop-2-ene-1-sulfonate SMILES: [Na+].CC(=C)CS([O-])(=O)=O
| PubChem CID | 23663624 |
|---|---|
| CAS | 1561-92-8 |
| Molecular Weight (g/mol) | 158.15 |
| MDL Number | MFCD00065344 |
| SMILES | [Na+].CC(=C)CS([O-])(=O)=O |
| Synonym | Methallylsulfonic Acid Sodium Salt, Sodium Methallylsulfonate, 2-Methyl-2-propene-1-sulfonic Acid Sodium Salt |
| IUPAC Name | sodium 2-methylprop-2-ene-1-sulfonate |
| InChI Key | SZHIIIPPJJXYRY-UHFFFAOYSA-M |
| Molecular Formula | C4H7NaO3S |
trans-4-Methylcyclohexanecarboxylic Acid 98.0+%, TCI America™
CAS: 13064-83-0 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00074943,MFCD00074909,MFCD20617670 InChI Key: QTDXSEZXAPHVBI-UHFFFAOYSA-N Synonym: trans-4-methylcyclohexanecarboxylic acid,4-methylcyclohexanecarboxylic acid,4-methyl-1-cyclohexanecarboxylic acid,cis-4-methylcyclohexanecarboxylic acid,unii-70f0i2amtv,unii-m7dsk28350,trans-4-methyl-1-cyclohexanecarboxylic acid,trans-4-methyl hexahydrobenzoic acid,trans-4-methylcyclohexane carboxylic acid,70f0i2amtv PubChem CID: 20330 IUPAC Name: 4-methylcyclohexane-1-carboxylic acid SMILES: CC1CCC(CC1)C(O)=O
| PubChem CID | 20330 |
|---|---|
| CAS | 13064-83-0 |
| Molecular Weight (g/mol) | 142.20 |
| MDL Number | MFCD00074943,MFCD00074909,MFCD20617670 |
| SMILES | CC1CCC(CC1)C(O)=O |
| Synonym | trans-4-methylcyclohexanecarboxylic acid,4-methylcyclohexanecarboxylic acid,4-methyl-1-cyclohexanecarboxylic acid,cis-4-methylcyclohexanecarboxylic acid,unii-70f0i2amtv,unii-m7dsk28350,trans-4-methyl-1-cyclohexanecarboxylic acid,trans-4-methyl hexahydrobenzoic acid,trans-4-methylcyclohexane carboxylic acid,70f0i2amtv |
| IUPAC Name | 4-methylcyclohexane-1-carboxylic acid |
| InChI Key | QTDXSEZXAPHVBI-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
Methylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 13061-96-6 Molecular Formula: CH5BO2 MDL Number: MFCD00002105 InChI Key: KTMKRRPZPWUYKK-UHFFFAOYSA-N PubChem CID: 139377 IUPAC Name: methylboronic acid
| PubChem CID | 139377 |
|---|---|
| CAS | 13061-96-6 |
| MDL Number | MFCD00002105 |
| IUPAC Name | methylboronic acid |
| InChI Key | KTMKRRPZPWUYKK-UHFFFAOYSA-N |
| Molecular Formula | CH5BO2 |
Mycophenolate Mofetil 98.0+%, TCI America™
CAS: 128794-94-5 Molecular Formula: C23H31NO7 Molecular Weight (g/mol): 433.501 MDL Number: MFCD00867568 InChI Key: RTGDFNSFWBGLEC-SYZQJQIISA-N Synonym: mycophenolate mofetil,cellcept,munoloc,myfenax,mycophenolic acid morpholinoethyl ester,tm-mmf,mycophenylate mofetil,mycophenolatemofetil,cellcept tn,unii-9242ecw6r0 PubChem CID: 5281078 ChEBI: CHEBI:8764 IUPAC Name: 2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate SMILES: CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)OCCN3CCOCC3)OC
| PubChem CID | 5281078 |
|---|---|
| CAS | 128794-94-5 |
| Molecular Weight (g/mol) | 433.501 |
| ChEBI | CHEBI:8764 |
| MDL Number | MFCD00867568 |
| SMILES | CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)OCCN3CCOCC3)OC |
| Synonym | mycophenolate mofetil,cellcept,munoloc,myfenax,mycophenolic acid morpholinoethyl ester,tm-mmf,mycophenylate mofetil,mycophenolatemofetil,cellcept tn,unii-9242ecw6r0 |
| IUPAC Name | 2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate |
| InChI Key | RTGDFNSFWBGLEC-SYZQJQIISA-N |
| Molecular Formula | C23H31NO7 |
N-(Methoxymethyl)methacrylamide (stabilized with MEHQ) 85.0+%, TCI America™
CAS: 3644-12-0 Molecular Formula: C6H11NO2 Molecular Weight (g/mol): 129.16 MDL Number: MFCD00035808 InChI Key: YOZHLACIXDCHPV-UHFFFAOYSA-N PubChem CID: 77204 IUPAC Name: N-(methoxymethyl)-2-methylprop-2-enamide SMILES: COCNC(=O)C(C)=C
| PubChem CID | 77204 |
|---|---|
| CAS | 3644-12-0 |
| Molecular Weight (g/mol) | 129.16 |
| MDL Number | MFCD00035808 |
| SMILES | COCNC(=O)C(C)=C |
| IUPAC Name | N-(methoxymethyl)-2-methylprop-2-enamide |
| InChI Key | YOZHLACIXDCHPV-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO2 |
4-Bromophthalimide 98.0+%, TCI America™
CAS: 6941-75-9 Molecular Formula: C8H4BrNO2 Molecular Weight (g/mol): 226.029 MDL Number: MFCD00466049 InChI Key: GNYICZVGHULCHE-UHFFFAOYSA-N Synonym: 4-bromophthalimide,5-bromoisoindoline-1,3-dione,5-bromo-isoindole-1,3-dione,5-bromo-2,3-dihydro-1h-isoindole-1,3-dione,4-bromo phthalimide,5-bromo-1h-isoindole-1,3 2h-dione,1h-isoindole-1,3 2h-dione, 5-bromo,5-bromo-2h-isoindole-1,3-dione,5-bromophthalimide,acmc-209o8b PubChem CID: 236018 IUPAC Name: 5-bromoisoindole-1,3-dione SMILES: C1=CC2=C(C=C1Br)C(=O)NC2=O
| PubChem CID | 236018 |
|---|---|
| CAS | 6941-75-9 |
| Molecular Weight (g/mol) | 226.029 |
| MDL Number | MFCD00466049 |
| SMILES | C1=CC2=C(C=C1Br)C(=O)NC2=O |
| Synonym | 4-bromophthalimide,5-bromoisoindoline-1,3-dione,5-bromo-isoindole-1,3-dione,5-bromo-2,3-dihydro-1h-isoindole-1,3-dione,4-bromo phthalimide,5-bromo-1h-isoindole-1,3 2h-dione,1h-isoindole-1,3 2h-dione, 5-bromo,5-bromo-2h-isoindole-1,3-dione,5-bromophthalimide,acmc-209o8b |
| IUPAC Name | 5-bromoisoindole-1,3-dione |
| InChI Key | GNYICZVGHULCHE-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrNO2 |
HBTU 98.0+%, TCI America™
CAS: 94790-37-1 Molecular Formula: C11H16F6N5OP Molecular Weight (g/mol): 379.247 MDL Number: MFCD00075445 InChI Key: UQYZFNUUOSSNKT-UHFFFAOYSA-N Synonym: hbtu,o-benzotriazol-1-yl-n,n,n',n'-tetramethyluronium hexafluorophosphate,2-1h-benzotriazole-1-yl-1,1,3,3-tetramethyluronium hexafluorophosphate,hbtu-reagent,o-benzotriazol-1-yl-tetramethyluronium hexafluorophosphate,hbtu o-benzotriazole-n,n,n',n'-tetramethyl-uronium-hexafluoro-phosphate,n,n,n',n'-tetramethyl-o-1h-benzotriazol-1-yl uronium hexafluorophosphate,o-1h-benzotriazol-1-yl-n,n,n',n'-tetramethyluronium hexafluorophosphate,o-benzotriazole-n,n,n',n'-tetramethyluronium hexafluorophosphate PubChem CID: 2733084 IUPAC Name: [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium;hexafluorophosphate SMILES: CN(C)C(=[N+](C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F
| PubChem CID | 2733084 |
|---|---|
| CAS | 94790-37-1 |
| Molecular Weight (g/mol) | 379.247 |
| MDL Number | MFCD00075445 |
| SMILES | CN(C)C(=[N+](C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F |
| Synonym | hbtu,o-benzotriazol-1-yl-n,n,n',n'-tetramethyluronium hexafluorophosphate,2-1h-benzotriazole-1-yl-1,1,3,3-tetramethyluronium hexafluorophosphate,hbtu-reagent,o-benzotriazol-1-yl-tetramethyluronium hexafluorophosphate,hbtu o-benzotriazole-n,n,n',n'-tetramethyl-uronium-hexafluoro-phosphate,n,n,n',n'-tetramethyl-o-1h-benzotriazol-1-yl uronium hexafluorophosphate,o-1h-benzotriazol-1-yl-n,n,n',n'-tetramethyluronium hexafluorophosphate,o-benzotriazole-n,n,n',n'-tetramethyluronium hexafluorophosphate |
| IUPAC Name | [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium;hexafluorophosphate |
| InChI Key | UQYZFNUUOSSNKT-UHFFFAOYSA-N |
| Molecular Formula | C11H16F6N5OP |
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic Acid 97.0+%, TCI America™
CAS: 60239-18-1 Molecular Formula: C16H28N4O8 Molecular Weight (g/mol): 404.42 MDL Number: MFCD00068657 InChI Key: WDLRUFUQRNWCPK-UHFFFAOYSA-N Synonym: DOTA PubChem CID: 121841 ChEBI: CHEBI:61028 IUPAC Name: 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid SMILES: C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
| PubChem CID | 121841 |
|---|---|
| CAS | 60239-18-1 |
| Molecular Weight (g/mol) | 404.42 |
| ChEBI | CHEBI:61028 |
| MDL Number | MFCD00068657 |
| SMILES | C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O |
| Synonym | DOTA |
| IUPAC Name | 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
| InChI Key | WDLRUFUQRNWCPK-UHFFFAOYSA-N |
| Molecular Formula | C16H28N4O8 |
Tetradecyldimethyl(3-sulfopropyl)ammonium Hydroxide Inner Salt 98.0+%, TCI America™
CAS: 14933-09-6 Molecular Formula: C19H41NO3S Molecular Weight (g/mol): 363.601 MDL Number: MFCD00036910 InChI Key: BHATUINFZWUDIX-UHFFFAOYSA-N Synonym: myristyl sulfobetaine,zwittergent 3-14,n-tetradecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate,3-dimethyl tetradecyl ammonio propane-1-sulfonate,3-n,n-dimethylmyristylammonio propanesulfonate,dimethyl 3-sulphonatopropyl tetradecylammonium,zwittergent™ 3-14 detergent,3-myristyldimethylammonio propanesulfonate,3-n,n-dimethyltetradecylammonio propanesulfonate PubChem CID: 84705 ChEBI: CHEBI:10129 IUPAC Name: 3-[dimethyl(tetradecyl)azaniumyl]propane-1-sulfonate SMILES: CCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
| PubChem CID | 84705 |
|---|---|
| CAS | 14933-09-6 |
| Molecular Weight (g/mol) | 363.601 |
| ChEBI | CHEBI:10129 |
| MDL Number | MFCD00036910 |
| SMILES | CCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] |
| Synonym | myristyl sulfobetaine,zwittergent 3-14,n-tetradecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate,3-dimethyl tetradecyl ammonio propane-1-sulfonate,3-n,n-dimethylmyristylammonio propanesulfonate,dimethyl 3-sulphonatopropyl tetradecylammonium,zwittergent™ 3-14 detergent,3-myristyldimethylammonio propanesulfonate,3-n,n-dimethyltetradecylammonio propanesulfonate |
| IUPAC Name | 3-[dimethyl(tetradecyl)azaniumyl]propane-1-sulfonate |
| InChI Key | BHATUINFZWUDIX-UHFFFAOYSA-N |
| Molecular Formula | C19H41NO3S |
1H,1H,2H,2H-Tridecafluoro-n-octyl Acrylate (stabilized with HQ + MEHQ) 98.0+%, TCI America™
CAS: 17527-29-6 Molecular Formula: C11H7F13O2 Molecular Weight (g/mol): 418.15 MDL Number: MFCD00042351 InChI Key: VPKQPPJQTZJZDB-UHFFFAOYSA-N Synonym: Acrylic Acid 1H,1H,2H,2H-Tridecafluoro-n-octyl Ester PubChem CID: 87149 IUPAC Name: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl prop-2-enoate SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C
| PubChem CID | 87149 |
|---|---|
| CAS | 17527-29-6 |
| Molecular Weight (g/mol) | 418.15 |
| MDL Number | MFCD00042351 |
| SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C |
| Synonym | Acrylic Acid 1H,1H,2H,2H-Tridecafluoro-n-octyl Ester |
| IUPAC Name | 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl prop-2-enoate |
| InChI Key | VPKQPPJQTZJZDB-UHFFFAOYSA-N |
| Molecular Formula | C11H7F13O2 |
Dichloroacetic Acid 98.0+%, TCI America™
CAS: 79-43-6 Molecular Formula: C2H2Cl2O2 Molecular Weight (g/mol): 128.936 MDL Number: MFCD00004223 InChI Key: JXTHNDFMNIQAHM-UHFFFAOYSA-N Synonym: dichloroacetic acid,dichloracetic acid,dichloroethanoic acid,acetic acid, dichloro,urner's liquid,dichlorethanoic acid,bichloracetic acid,dca acid,bichloroacetic acid,dichloro-acetic acid PubChem CID: 6597 ChEBI: CHEBI:36386 IUPAC Name: 2,2-dichloroacetic acid SMILES: C(C(=O)O)(Cl)Cl
| PubChem CID | 6597 |
|---|---|
| CAS | 79-43-6 |
| Molecular Weight (g/mol) | 128.936 |
| ChEBI | CHEBI:36386 |
| MDL Number | MFCD00004223 |
| SMILES | C(C(=O)O)(Cl)Cl |
| Synonym | dichloroacetic acid,dichloracetic acid,dichloroethanoic acid,acetic acid, dichloro,urner's liquid,dichlorethanoic acid,bichloracetic acid,dca acid,bichloroacetic acid,dichloro-acetic acid |
| IUPAC Name | 2,2-dichloroacetic acid |
| InChI Key | JXTHNDFMNIQAHM-UHFFFAOYSA-N |
| Molecular Formula | C2H2Cl2O2 |
N,N-Diethylformamide 99.0+%, TCI America™
CAS: 617-84-5 Molecular Formula: C5H11NO Molecular Weight (g/mol): 101.15 MDL Number: MFCD00003287 InChI Key: SUAKHGWARZSWIH-UHFFFAOYSA-N Synonym: diethylformamide,formamide, n,n-diethyl,n-formyldiethylamine,diethyl formamide,formyldiethylamine,diethylamid kyseliny mravenci,n,n-diethylcarboxamide,diethylamid kyseliny mravenci czech,diethyl-formamide,formamide, diethyl PubChem CID: 12051 IUPAC Name: N,N-diethylformamide SMILES: CCN(CC)C=O
| PubChem CID | 12051 |
|---|---|
| CAS | 617-84-5 |
| Molecular Weight (g/mol) | 101.15 |
| MDL Number | MFCD00003287 |
| SMILES | CCN(CC)C=O |
| Synonym | diethylformamide,formamide, n,n-diethyl,n-formyldiethylamine,diethyl formamide,formyldiethylamine,diethylamid kyseliny mravenci,n,n-diethylcarboxamide,diethylamid kyseliny mravenci czech,diethyl-formamide,formamide, diethyl |
| IUPAC Name | N,N-diethylformamide |
| InChI Key | SUAKHGWARZSWIH-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO |
6-Methylnicotinamide 98.0+%, TCI America™
CAS: 6960-22-1 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.154 MDL Number: MFCD00006342 InChI Key: IJXDURUAYOKSIS-UHFFFAOYSA-N Synonym: 6-methylnicotinamide,6-methyl nicotinamide,3-pyridinecarboxamide, 6-methyl,6-methyl-3-pyridinecarboxamide,8ej,nicotinamide, 6-methyl,3-carbamoyl-6-methylpyridine,ksc630k7f,2-methylpyridine-5-carboxamide,3-pyridinecarboxamide,6-methyl PubChem CID: 96351 IUPAC Name: 6-methylpyridine-3-carboxamide SMILES: CC1=NC=C(C=C1)C(=O)N
| PubChem CID | 96351 |
|---|---|
| CAS | 6960-22-1 |
| Molecular Weight (g/mol) | 136.154 |
| MDL Number | MFCD00006342 |
| SMILES | CC1=NC=C(C=C1)C(=O)N |
| Synonym | 6-methylnicotinamide,6-methyl nicotinamide,3-pyridinecarboxamide, 6-methyl,6-methyl-3-pyridinecarboxamide,8ej,nicotinamide, 6-methyl,3-carbamoyl-6-methylpyridine,ksc630k7f,2-methylpyridine-5-carboxamide,3-pyridinecarboxamide,6-methyl |
| IUPAC Name | 6-methylpyridine-3-carboxamide |
| InChI Key | IJXDURUAYOKSIS-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O |