Organic acids and derivatives
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2,3,4,6-Tetra-O-benzoyl-alpha-D-glucopyranosyl p-Trifluoromethylbenzylthio-N-(p-trifluoromethylphenyl)formimidate 96.0+%, TCI America™
CAS: 428816-48-2 Molecular Formula: C50H37F6NO10S Molecular Weight (g/mol): 957.893 MDL Number: MFCD06797174 InChI Key: HTRJVXKRCWWVSR-KPAAGLOJSA-N PubChem CID: 11378098 IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[N-[4-(trifluoromethyl)phenyl]-C-[[4-(trifluoromethyl)phenyl]methylsulfanyl]carbonimidoyl]oxyoxan-2-yl]methyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC(=NC3=CC=C(C=C3)C(F)(F)F)SCC4=CC=C(C=C4)C(F)(F)F)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
| PubChem CID | 11378098 |
|---|---|
| CAS | 428816-48-2 |
| Molecular Weight (g/mol) | 957.893 |
| MDL Number | MFCD06797174 |
| SMILES | C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC(=NC3=CC=C(C=C3)C(F)(F)F)SCC4=CC=C(C=C4)C(F)(F)F)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7 |
| IUPAC Name | [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[N-[4-(trifluoromethyl)phenyl]-C-[[4-(trifluoromethyl)phenyl]methylsulfanyl]carbonimidoyl]oxyoxan-2-yl]methyl benzoate |
| InChI Key | HTRJVXKRCWWVSR-KPAAGLOJSA-N |
| Molecular Formula | C50H37F6NO10S |
Ethyl Thioglycolate 97.0+%, TCI America™
CAS: 623-51-8 Molecular Formula: C4H8O2S Molecular Weight (g/mol): 120.166 MDL Number: MFCD00004874 InChI Key: PVBRSNZAOAJRKO-UHFFFAOYSA-N Synonym: ethyl thioglycolate,ethyl mercaptoacetate,ethyl 2-mercaptoacetate,mercaptoacetic acid ethyl ester,ethyl thioglycollate,acetic acid, mercapto-, ethyl ester,thioglycolic acid ethyl ester,ethyl mercaptoacetic acid,usaf ek-2070,acetic acid, 2-mercapto-, ethyl ester PubChem CID: 12185 IUPAC Name: ethyl 2-sulfanylacetate SMILES: CCOC(=O)CS
| PubChem CID | 12185 |
|---|---|
| CAS | 623-51-8 |
| Molecular Weight (g/mol) | 120.166 |
| MDL Number | MFCD00004874 |
| SMILES | CCOC(=O)CS |
| Synonym | ethyl thioglycolate,ethyl mercaptoacetate,ethyl 2-mercaptoacetate,mercaptoacetic acid ethyl ester,ethyl thioglycollate,acetic acid, mercapto-, ethyl ester,thioglycolic acid ethyl ester,ethyl mercaptoacetic acid,usaf ek-2070,acetic acid, 2-mercapto-, ethyl ester |
| IUPAC Name | ethyl 2-sulfanylacetate |
| InChI Key | PVBRSNZAOAJRKO-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2S |
Sodium Trifluoroacetate 98.0+%, TCI America™
CAS: 2923-18-4 Molecular Formula: C2F3NaO2 Molecular Weight (g/mol): 136.01 MDL Number: MFCD00013217 InChI Key: UYCAUPASBSROMS-UHFFFAOYSA-M Synonym: sodium trifluoroacetate,trifluoroacetic acid sodium salt,acetic acid, trifluoro-, sodium salt,sodium perfluoroacetate,trifluoroacetate sodium,sodium 2,2,2-trifluoroacetate,trifluoroacetic acid sodium,trifluoroacetic acid,sodium salt,acetic acid, 2,2,2-trifluoro-, sodium salt 1:1,trifluoroacetic acid, sodium salt PubChem CID: 517019 IUPAC Name: sodium trifluoroacetate SMILES: [Na+].[O-]C(=O)C(F)(F)F
| PubChem CID | 517019 |
|---|---|
| CAS | 2923-18-4 |
| Molecular Weight (g/mol) | 136.01 |
| MDL Number | MFCD00013217 |
| SMILES | [Na+].[O-]C(=O)C(F)(F)F |
| Synonym | sodium trifluoroacetate,trifluoroacetic acid sodium salt,acetic acid, trifluoro-, sodium salt,sodium perfluoroacetate,trifluoroacetate sodium,sodium 2,2,2-trifluoroacetate,trifluoroacetic acid sodium,trifluoroacetic acid,sodium salt,acetic acid, 2,2,2-trifluoro-, sodium salt 1:1,trifluoroacetic acid, sodium salt |
| IUPAC Name | sodium trifluoroacetate |
| InChI Key | UYCAUPASBSROMS-UHFFFAOYSA-M |
| Molecular Formula | C2F3NaO2 |
Diethyl Acetylenedicarboxylate 96.0+%, TCI America™
CAS: 762-21-0 Molecular Formula: C8H10O4 Molecular Weight (g/mol): 170.164 MDL Number: MFCD00009186 InChI Key: STRNXFOUBFLVIN-UHFFFAOYSA-N Synonym: diethyl acetylenedicarboxylate,2-butynedioic acid, diethyl ester,diethyl 2-butynedioate,1,4-diethyl but-2-ynedioate,acetylenedicarboxylic acid, diethyl ester,acetylenedicarboxylic acid diethyl ester,diethylacetylenedicarboxylate,bis-ethoxycarbonyl acetylene,diethyl acetylene dicarboxylate,di-ethyl acetylenedicarboxylate PubChem CID: 69803 IUPAC Name: diethyl but-2-ynedioate SMILES: CCOC(=O)C#CC(=O)OCC
| PubChem CID | 69803 |
|---|---|
| CAS | 762-21-0 |
| Molecular Weight (g/mol) | 170.164 |
| MDL Number | MFCD00009186 |
| SMILES | CCOC(=O)C#CC(=O)OCC |
| Synonym | diethyl acetylenedicarboxylate,2-butynedioic acid, diethyl ester,diethyl 2-butynedioate,1,4-diethyl but-2-ynedioate,acetylenedicarboxylic acid, diethyl ester,acetylenedicarboxylic acid diethyl ester,diethylacetylenedicarboxylate,bis-ethoxycarbonyl acetylene,diethyl acetylene dicarboxylate,di-ethyl acetylenedicarboxylate |
| IUPAC Name | diethyl but-2-ynedioate |
| InChI Key | STRNXFOUBFLVIN-UHFFFAOYSA-N |
| Molecular Formula | C8H10O4 |
4-Methyl-3-cyclohexene-1-carboxylic Acid 98.0+%, TCI America™
CAS: 4342-60-3 Molecular Formula: C8H12O2 Molecular Weight (g/mol): 140.182 InChI Key: OYOQOLNBTPTFEM-UHFFFAOYSA-N PubChem CID: 20350 IUPAC Name: 4-methylcyclohex-3-ene-1-carboxylic acid SMILES: CC1=CCC(CC1)C(=O)O
| PubChem CID | 20350 |
|---|---|
| CAS | 4342-60-3 |
| Molecular Weight (g/mol) | 140.182 |
| SMILES | CC1=CCC(CC1)C(=O)O |
| IUPAC Name | 4-methylcyclohex-3-ene-1-carboxylic acid |
| InChI Key | OYOQOLNBTPTFEM-UHFFFAOYSA-N |
| Molecular Formula | C8H12O2 |
Tributyl Trimellitate 98.0+%, TCI America™
CAS: 1726-23-4 Molecular Formula: C21H30O6 Molecular Weight (g/mol): 378.47 MDL Number: MFCD00059424 InChI Key: RJIFVNWOLLIBJV-UHFFFAOYSA-N Synonym: 1,2,4-Benzenetricarboxylic Acid Tributyl Ester, Trimellitic Acid Tributyl Ester PubChem CID: 74411 IUPAC Name: 1,2,4-tributyl benzene-1,2,4-tricarboxylate SMILES: CCCCOC(=O)C1=CC=C(C(=O)OCCCC)C(=C1)C(=O)OCCCC
| PubChem CID | 74411 |
|---|---|
| CAS | 1726-23-4 |
| Molecular Weight (g/mol) | 378.47 |
| MDL Number | MFCD00059424 |
| SMILES | CCCCOC(=O)C1=CC=C(C(=O)OCCCC)C(=C1)C(=O)OCCCC |
| Synonym | 1,2,4-Benzenetricarboxylic Acid Tributyl Ester, Trimellitic Acid Tributyl Ester |
| IUPAC Name | 1,2,4-tributyl benzene-1,2,4-tricarboxylate |
| InChI Key | RJIFVNWOLLIBJV-UHFFFAOYSA-N |
| Molecular Formula | C21H30O6 |
Tetramethyl 1,1,2,3-Propanetetracarboxylate 98.0+%, TCI America™
CAS: 55525-27-4 Molecular Formula: C11H16O8 Molecular Weight (g/mol): 276.241 InChI Key: GDCMVQHUKVXNPY-UHFFFAOYSA-N Synonym: 1,1,2,3-Propanetetracarboxylic Acid Tetramethyl Ester, Dimethyl 2,3-Bis(methoxycarbonyl)pentanedioate PubChem CID: 2884274 IUPAC Name: tetramethyl propane-1,1,2,3-tetracarboxylate SMILES: COC(=O)CC(C(C(=O)OC)C(=O)OC)C(=O)OC
| PubChem CID | 2884274 |
|---|---|
| CAS | 55525-27-4 |
| Molecular Weight (g/mol) | 276.241 |
| SMILES | COC(=O)CC(C(C(=O)OC)C(=O)OC)C(=O)OC |
| Synonym | 1,1,2,3-Propanetetracarboxylic Acid Tetramethyl Ester, Dimethyl 2,3-Bis(methoxycarbonyl)pentanedioate |
| IUPAC Name | tetramethyl propane-1,1,2,3-tetracarboxylate |
| InChI Key | GDCMVQHUKVXNPY-UHFFFAOYSA-N |
| Molecular Formula | C11H16O8 |
2-Acetamidothiazole 98.0+%, TCI America™
CAS: 2719-23-5 Molecular Formula: C5H6N2OS Molecular Weight (g/mol): 142.176 MDL Number: MFCD00016892 InChI Key: WXPLRSVMGRAIGW-UHFFFAOYSA-N Synonym: 2-acetamidothiazole,2-acetylaminothiazole,n-thiazol-2-yl acetamide,acetamide, n-2-thiazolyl,n-1,3-thiazol-2-yl acetamide,n-2-thiazolylacetamide,thiazole, 2-acetamido,2-acetaminothiazole,2-acetamido-1,3-thiazole,n-thiazol-2-ylacetamide PubChem CID: 17625 IUPAC Name: N-(1,3-thiazol-2-yl)acetamide SMILES: CC(=O)NC1=NC=CS1
| PubChem CID | 17625 |
|---|---|
| CAS | 2719-23-5 |
| Molecular Weight (g/mol) | 142.176 |
| MDL Number | MFCD00016892 |
| SMILES | CC(=O)NC1=NC=CS1 |
| Synonym | 2-acetamidothiazole,2-acetylaminothiazole,n-thiazol-2-yl acetamide,acetamide, n-2-thiazolyl,n-1,3-thiazol-2-yl acetamide,n-2-thiazolylacetamide,thiazole, 2-acetamido,2-acetaminothiazole,2-acetamido-1,3-thiazole,n-thiazol-2-ylacetamide |
| IUPAC Name | N-(1,3-thiazol-2-yl)acetamide |
| InChI Key | WXPLRSVMGRAIGW-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2OS |
DL-Homocysteinethiolactone Hydrochloride 98.0+%, TCI America™
CAS: 6038-19-3 Molecular Formula: C4H8ClNOS Molecular Weight (g/mol): 153.624 MDL Number: MFCD00012724 InChI Key: ZSEGSUBKDDEALH-UHFFFAOYSA-N Synonym: dl-homocysteine thiolactone hydrochloride,3-aminodihydrothiophen-2 3h-one hydrochloride,3-aminothiolan-2-one hydrochloride,hctl hydrochloride,dl-homocysteinethiolactone hydrochloride,d,l-homocysteine thiolactone hydrochloride,d,l-homocysteinthiolakton chlorid german,+--dihydro-3-amino-2 3h-thiophenone hydrochloride,2 3h-thiophenone, dihydro-3-amino-, hydrochloride, +-,l-2-amino-4-mercaptobutyric acid 1,4-thiolactone hydrochloride PubChem CID: 110753 IUPAC Name: 3-aminothiolan-2-one;hydrochloride SMILES: C1CSC(=O)C1N.Cl
| PubChem CID | 110753 |
|---|---|
| CAS | 6038-19-3 |
| Molecular Weight (g/mol) | 153.624 |
| MDL Number | MFCD00012724 |
| SMILES | C1CSC(=O)C1N.Cl |
| Synonym | dl-homocysteine thiolactone hydrochloride,3-aminodihydrothiophen-2 3h-one hydrochloride,3-aminothiolan-2-one hydrochloride,hctl hydrochloride,dl-homocysteinethiolactone hydrochloride,d,l-homocysteine thiolactone hydrochloride,d,l-homocysteinthiolakton chlorid german,+--dihydro-3-amino-2 3h-thiophenone hydrochloride,2 3h-thiophenone, dihydro-3-amino-, hydrochloride, +-,l-2-amino-4-mercaptobutyric acid 1,4-thiolactone hydrochloride |
| IUPAC Name | 3-aminothiolan-2-one;hydrochloride |
| InChI Key | ZSEGSUBKDDEALH-UHFFFAOYSA-N |
| Molecular Formula | C4H8ClNOS |
1-Formylpiperazine 98.0+%, TCI America™
CAS: 7755-92-2 Molecular Formula: C5H11N2O Molecular Weight (g/mol): 115.16 MDL Number: MFCD00005963 InChI Key: MSSDTZLYNMFTKN-UHFFFAOYSA-O Synonym: 1-formylpiperazine,1-piperazinecarboxaldehyde,1-piperazinecarbaldehyde,formylpiperazine,n-formylpiperazine,1-formyl piperazine,piperazinecarbaldehyde,l-formylpiperazine,4-formylpiperazine,n-formyl piperazine PubChem CID: 82191 IUPAC Name: 4-formylpiperazin-1-ium SMILES: O=CN1CC[NH2+]CC1
| PubChem CID | 82191 |
|---|---|
| CAS | 7755-92-2 |
| Molecular Weight (g/mol) | 115.16 |
| MDL Number | MFCD00005963 |
| SMILES | O=CN1CC[NH2+]CC1 |
| Synonym | 1-formylpiperazine,1-piperazinecarboxaldehyde,1-piperazinecarbaldehyde,formylpiperazine,n-formylpiperazine,1-formyl piperazine,piperazinecarbaldehyde,l-formylpiperazine,4-formylpiperazine,n-formyl piperazine |
| IUPAC Name | 4-formylpiperazin-1-ium |
| InChI Key | MSSDTZLYNMFTKN-UHFFFAOYSA-O |
| Molecular Formula | C5H11N2O |
Maleic Hydrazide 99.0+%, TCI America™
CAS: 123-33-1 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.088 MDL Number: MFCD00006665 InChI Key: BGRDGMRNKXEXQD-UHFFFAOYSA-N Synonym: pyridazine-3,6-diol,maleic hydrazide,3,6-dihydroxypyridazine,3,6-pyridazinediol,stuntman,maleic acid hydrazide,vondalhyde,3,6-pyridazinedione, 1,2-dihydro,1,2-dihydro-3,6-pyridazinedione,antergon PubChem CID: 21954 ChEBI: CHEBI:81771 IUPAC Name: 1,2-dihydropyridazine-3,6-dione SMILES: C1=CC(=O)NNC1=O
| PubChem CID | 21954 |
|---|---|
| CAS | 123-33-1 |
| Molecular Weight (g/mol) | 112.088 |
| ChEBI | CHEBI:81771 |
| MDL Number | MFCD00006665 |
| SMILES | C1=CC(=O)NNC1=O |
| Synonym | pyridazine-3,6-diol,maleic hydrazide,3,6-dihydroxypyridazine,3,6-pyridazinediol,stuntman,maleic acid hydrazide,vondalhyde,3,6-pyridazinedione, 1,2-dihydro,1,2-dihydro-3,6-pyridazinedione,antergon |
| IUPAC Name | 1,2-dihydropyridazine-3,6-dione |
| InChI Key | BGRDGMRNKXEXQD-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2O2 |
(-)-Dipivaloyl-L-tartaric Acid 98.0+%, TCI America™
CAS: 65259-81-6 Molecular Formula: C14H22O8 Molecular Weight (g/mol): 318.32 MDL Number: MFCD00066535 InChI Key: UFHJEZDFEHUYCR-YZYOREDDNA-N Synonym: +-dipivaloyl-d-tartaric acid,2s,3s-2,3-bis pivaloyloxy succinic acid,d-+-dipivaloyl tartaric acid,pubchem8173,--bis 2,2-dimethylpropionyl-l-tartaric acid,dipivaloyl-l-tartaric acid,+-dipivaloyl-d-tartaricacid,+-dpta,?-o,o'-di-pivaloyl-l-tartaric acid,+-o,o'-di-pivaloyl-d-tartaric acid PubChem CID: 16212279 IUPAC Name: (2R,3R)-2,3-bis[(2,2-dimethylpropanoyl)oxy]butanedioic acid SMILES: CC(C)(C)C(=O)O[C@H]([C@@H](OC(=O)C(C)(C)C)C(O)=O)C(O)=O
| PubChem CID | 16212279 |
|---|---|
| CAS | 65259-81-6 |
| Molecular Weight (g/mol) | 318.32 |
| MDL Number | MFCD00066535 |
| SMILES | CC(C)(C)C(=O)O[C@H]([C@@H](OC(=O)C(C)(C)C)C(O)=O)C(O)=O |
| Synonym | +-dipivaloyl-d-tartaric acid,2s,3s-2,3-bis pivaloyloxy succinic acid,d-+-dipivaloyl tartaric acid,pubchem8173,--bis 2,2-dimethylpropionyl-l-tartaric acid,dipivaloyl-l-tartaric acid,+-dipivaloyl-d-tartaricacid,+-dpta,?-o,o'-di-pivaloyl-l-tartaric acid,+-o,o'-di-pivaloyl-d-tartaric acid |
| IUPAC Name | (2R,3R)-2,3-bis[(2,2-dimethylpropanoyl)oxy]butanedioic acid |
| InChI Key | UFHJEZDFEHUYCR-YZYOREDDNA-N |
| Molecular Formula | C14H22O8 |
Zaltoprofen 98.0+%, TCI America™
CAS: 74711-43-6 Molecular Formula: C17H14O3S Molecular Weight (g/mol): 298.356 MDL Number: MFCD00864323 InChI Key: MUXFZBHBYYYLTH-UHFFFAOYSA-N Synonym: 2-(10,11-Dihydro-10-oxodibenzo[b,f]thiepin-2-yl)propionic Acid PubChem CID: 5720 IUPAC Name: 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoic acid SMILES: CC(C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2)C(=O)O
| PubChem CID | 5720 |
|---|---|
| CAS | 74711-43-6 |
| Molecular Weight (g/mol) | 298.356 |
| MDL Number | MFCD00864323 |
| SMILES | CC(C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2)C(=O)O |
| Synonym | 2-(10,11-Dihydro-10-oxodibenzo[b,f]thiepin-2-yl)propionic Acid |
| IUPAC Name | 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoic acid |
| InChI Key | MUXFZBHBYYYLTH-UHFFFAOYSA-N |
| Molecular Formula | C17H14O3S |
3-Phenylpyrazole-5-carboxylic Acid Hydrate 97.0+%, TCI America™
CAS: 5071-61-4 Molecular Formula: C10H7N2O2 Molecular Weight (g/mol): 187.18 MDL Number: MFCD01248821,MFCD05170017 InChI Key: QBPUOAJBMXXBNU-UHFFFAOYSA-M PubChem CID: 121025 IUPAC Name: 3-phenyl-1H-pyrazole-5-carboxylate SMILES: [O-]C(=O)C1=CC(=NN1)C1=CC=CC=C1
| PubChem CID | 121025 |
|---|---|
| CAS | 5071-61-4 |
| Molecular Weight (g/mol) | 187.18 |
| MDL Number | MFCD01248821,MFCD05170017 |
| SMILES | [O-]C(=O)C1=CC(=NN1)C1=CC=CC=C1 |
| IUPAC Name | 3-phenyl-1H-pyrazole-5-carboxylate |
| InChI Key | QBPUOAJBMXXBNU-UHFFFAOYSA-M |
| Molecular Formula | C10H7N2O2 |
DL-2-Methylbutyric Acid 97.0+%, TCI America™
CAS: 116-53-0 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00002669 InChI Key: WLAMNBDJUVNPJU-UHFFFAOYSA-N Synonym: 2-methylbutyric acid,dl-2-methylbutyric acid,butanoic acid, 2-methyl,ethylmethylacetic acid,methylbutyric acid,2-methyl butyric acid,2-methybutyric acid,methylethylacetic acid,active valeric acid,butyric acid, 2-methyl PubChem CID: 8314 ChEBI: CHEBI:37070 IUPAC Name: 2-methylbutanoic acid SMILES: CCC(C)C(=O)O
| PubChem CID | 8314 |
|---|---|
| CAS | 116-53-0 |
| Molecular Weight (g/mol) | 102.133 |
| ChEBI | CHEBI:37070 |
| MDL Number | MFCD00002669 |
| SMILES | CCC(C)C(=O)O |
| Synonym | 2-methylbutyric acid,dl-2-methylbutyric acid,butanoic acid, 2-methyl,ethylmethylacetic acid,methylbutyric acid,2-methyl butyric acid,2-methybutyric acid,methylethylacetic acid,active valeric acid,butyric acid, 2-methyl |
| IUPAC Name | 2-methylbutanoic acid |
| InChI Key | WLAMNBDJUVNPJU-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |