Organic acids and derivatives
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Methyl p-toluate, 99%
CAS: 99-75-2 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008441 InChI Key: QSSJZLPUHJDYKF-UHFFFAOYSA-N Synonym: methyl p-toluate,methyl-p-toluate,p-carbomethoxytoluene,methyl 4-toluate,4-methylbenzoic acid methyl ester,methyl p-methylbenzoate,benzoic acid, 4-methyl-, methyl ester,4-methoxycarbonyl toluene,p-toluic acid, methyl ester,methyl p-toluenecarboxylate PubChem CID: 7455 IUPAC Name: methyl 4-methylbenzoate SMILES: CC1=CC=C(C=C1)C(=O)OC
| PubChem CID | 7455 |
|---|---|
| CAS | 99-75-2 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00008441 |
| SMILES | CC1=CC=C(C=C1)C(=O)OC |
| Synonym | methyl p-toluate,methyl-p-toluate,p-carbomethoxytoluene,methyl 4-toluate,4-methylbenzoic acid methyl ester,methyl p-methylbenzoate,benzoic acid, 4-methyl-, methyl ester,4-methoxycarbonyl toluene,p-toluic acid, methyl ester,methyl p-toluenecarboxylate |
| IUPAC Name | methyl 4-methylbenzoate |
| InChI Key | QSSJZLPUHJDYKF-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
N-tert-Butylacrylamide, 97%
CAS: 107-58-4 Molecular Formula: C7H13NO Molecular Weight (g/mol): 127.19 MDL Number: MFCD00026271 InChI Key: XFHJDMUEHUHAJW-UHFFFAOYSA-N Synonym: n-tert-butylacrylamide,tert-butylacrylamide,n-tert-butyl acrylamide,2-propenamide, n-1,1-dimethylethyl,acrylamide, n-tert-butyl,n-t-butylacrylamide,unii-xj13fsh48k,n-1,1-dimethylethyl-2-propenamide,xj13fsh48k,n-tert-butyl prop-2-enamide PubChem CID: 7877 IUPAC Name: N-tert-butylprop-2-enamide SMILES: CC(C)(C)NC(=O)C=C
| PubChem CID | 7877 |
|---|---|
| CAS | 107-58-4 |
| Molecular Weight (g/mol) | 127.19 |
| MDL Number | MFCD00026271 |
| SMILES | CC(C)(C)NC(=O)C=C |
| Synonym | n-tert-butylacrylamide,tert-butylacrylamide,n-tert-butyl acrylamide,2-propenamide, n-1,1-dimethylethyl,acrylamide, n-tert-butyl,n-t-butylacrylamide,unii-xj13fsh48k,n-1,1-dimethylethyl-2-propenamide,xj13fsh48k,n-tert-butyl prop-2-enamide |
| IUPAC Name | N-tert-butylprop-2-enamide |
| InChI Key | XFHJDMUEHUHAJW-UHFFFAOYSA-N |
| Molecular Formula | C7H13NO |
Methyl 3-methylthiophene-2-carboxylate, 99%
CAS: 81452-54-2 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.20 MDL Number: MFCD00234332 InChI Key: BRWROFVPMUPMJQ-UHFFFAOYSA-N Synonym: methyl 3-methyl-2-thiophenecarboxylate,3-methylthiophene-2-carboxylic acid methyl ester,3-methyl-thiophene-2-carboxylic acid methyl ester,2-thiophenecarboxylic acid, 3-methyl-, methyl ester,methyl 3-methyl-thiophene-2-carboxylate,d methyl ester,3-methyl-thiophene-2-carboxylic acid,pubchem10098,pubchem22915,ksc495k9b PubChem CID: 580757 IUPAC Name: methyl 3-methylthiophene-2-carboxylate SMILES: COC(=O)C1=C(C)C=CS1
| PubChem CID | 580757 |
|---|---|
| CAS | 81452-54-2 |
| Molecular Weight (g/mol) | 156.20 |
| MDL Number | MFCD00234332 |
| SMILES | COC(=O)C1=C(C)C=CS1 |
| Synonym | methyl 3-methyl-2-thiophenecarboxylate,3-methylthiophene-2-carboxylic acid methyl ester,3-methyl-thiophene-2-carboxylic acid methyl ester,2-thiophenecarboxylic acid, 3-methyl-, methyl ester,methyl 3-methyl-thiophene-2-carboxylate,d methyl ester,3-methyl-thiophene-2-carboxylic acid,pubchem10098,pubchem22915,ksc495k9b |
| IUPAC Name | methyl 3-methylthiophene-2-carboxylate |
| InChI Key | BRWROFVPMUPMJQ-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2S |
Hydroxychloroquine sulfate, 98%
CAS: 747-36-4 Molecular Formula: C18H26ClN3O·H2SO4 Molecular Weight (g/mol): 433.96 MDL Number: MFCD00078203 InChI Key: JCBIVZZPXRZKTI-UHFFFAOYSA-N Synonym: hydroxychloroquine sulfate,hydroxychloroquine sulphate,ercoquin,plaquinol,toremonil,2-4-7-chloroquinolin-4-yl amino pentyl ethyl amino ethanol sulfate,hydroxychloroquine sulfate usp,plaquenil tn,hydroxychloroquine; sulfuric acid,dsstox_cid_27788 PubChem CID: 12947 IUPAC Name: 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol;sulfuric acid SMILES: CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO.OS(=O)(=O)O
| PubChem CID | 12947 |
|---|---|
| CAS | 747-36-4 |
| Molecular Weight (g/mol) | 433.96 |
| MDL Number | MFCD00078203 |
| SMILES | CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO.OS(=O)(=O)O |
| Synonym | hydroxychloroquine sulfate,hydroxychloroquine sulphate,ercoquin,plaquinol,toremonil,2-4-7-chloroquinolin-4-yl amino pentyl ethyl amino ethanol sulfate,hydroxychloroquine sulfate usp,plaquenil tn,hydroxychloroquine; sulfuric acid,dsstox_cid_27788 |
| IUPAC Name | 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol;sulfuric acid |
| InChI Key | JCBIVZZPXRZKTI-UHFFFAOYSA-N |
| Molecular Formula | C18H26ClN3O·H2SO4 |
Beryllium Sulfate, Tetrahydrate, Spectrum™ Chemical
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CAS: 7787-56-6
| CAS | 7787-56-6 |
|---|
O-Methylisourea hemisulfate, 99%
CAS: 52328-05-9 Molecular Formula: C4H14N4O6S Molecular Weight (g/mol): 246.238 MDL Number: MFCD00040594 InChI Key: QSCPQKVWSNUJLJ-UHFFFAOYSA-N Synonym: o-methylisourea hemisulfate,2-methylisouronium sulfate,o-methylisourea hemisulfate salt,bis methoxymethanimidamide ; sulfuric acid,carbamimidic acid, methyl ester, sulfate 2:1,omi™,o-methylpseudourea sulfate,0-methylisourea hemisulfate,o-methylisourea hemisulphate,bis 2-methylisouronium sulphate PubChem CID: 11357018 IUPAC Name: methyl carbamimidate;sulfuric acid SMILES: COC(=N)N.COC(=N)N.OS(=O)(=O)O
| PubChem CID | 11357018 |
|---|---|
| CAS | 52328-05-9 |
| Molecular Weight (g/mol) | 246.238 |
| MDL Number | MFCD00040594 |
| SMILES | COC(=N)N.COC(=N)N.OS(=O)(=O)O |
| Synonym | o-methylisourea hemisulfate,2-methylisouronium sulfate,o-methylisourea hemisulfate salt,bis methoxymethanimidamide ; sulfuric acid,carbamimidic acid, methyl ester, sulfate 2:1,omi™,o-methylpseudourea sulfate,0-methylisourea hemisulfate,o-methylisourea hemisulphate,bis 2-methylisouronium sulphate |
| IUPAC Name | methyl carbamimidate;sulfuric acid |
| InChI Key | QSCPQKVWSNUJLJ-UHFFFAOYSA-N |
| Molecular Formula | C4H14N4O6S |
4-Sulfamoylbenzoic Acid, 95+ Percent, Spectrum™ Chemical
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CAS: 138-41-0
| CAS | 138-41-0 |
|---|
3-(Tritylthio)propionic acid, 97%
CAS: 27144-18-9 Molecular Formula: C22H20O2S Molecular Weight (g/mol): 348.46 MDL Number: MFCD00237291 InChI Key: AECGEIVNZGQBJT-UHFFFAOYSA-N Synonym: 3-tritylthio propanoic acid,s-trityl-3-mercaptopropionic acid,3-tritylthio propionic acid,3-tritylsulfanylpropionic acid,3-triphenylmethyl sulfanyl propanoic acid,3-tritylsulfanyl-propionic acid,3-tritylmercapto propionic acid,s-trityl-beta-mercaptopropionic acid,propanoic acid, 3-triphenylmethyl thio,3-tritylsulfanyl propanoic acid PubChem CID: 262767 IUPAC Name: 3-tritylsulfanylpropanoic acid SMILES: OC(=O)CCSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 262767 |
|---|---|
| CAS | 27144-18-9 |
| Molecular Weight (g/mol) | 348.46 |
| MDL Number | MFCD00237291 |
| SMILES | OC(=O)CCSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 3-tritylthio propanoic acid,s-trityl-3-mercaptopropionic acid,3-tritylthio propionic acid,3-tritylsulfanylpropionic acid,3-triphenylmethyl sulfanyl propanoic acid,3-tritylsulfanyl-propionic acid,3-tritylmercapto propionic acid,s-trityl-beta-mercaptopropionic acid,propanoic acid, 3-triphenylmethyl thio,3-tritylsulfanyl propanoic acid |
| IUPAC Name | 3-tritylsulfanylpropanoic acid |
| InChI Key | AECGEIVNZGQBJT-UHFFFAOYSA-N |
| Molecular Formula | C22H20O2S |
Methyl trifluoromethanesulfonate, 96%, Thermo Scientific Chemicals
CAS: 333-27-7 Molecular Formula: C2H3F3O3S Molecular Weight (g/mol): 164.10 MDL Number: MFCD00000409 InChI Key: OIRDBPQYVWXNSJ-UHFFFAOYSA-N Synonym: methyl triflate,methyl trifluoromethanesulphonate,methanesulfonic acid, trifluoro-, methyl ester,triflate ester,methyl trifluoromethane sulfonate,trifluoromethanesulfonic acid methyl ester,unii-7b25z22epv,ccris 1158,methyltrifluoromethanesulfonate,methanesulfonic acid, 1,1,1-trifluoro-, methyl ester PubChem CID: 9526 IUPAC Name: methyl trifluoromethanesulfonate SMILES: COS(=O)(=O)C(F)(F)F
| PubChem CID | 9526 |
|---|---|
| CAS | 333-27-7 |
| Molecular Weight (g/mol) | 164.10 |
| MDL Number | MFCD00000409 |
| SMILES | COS(=O)(=O)C(F)(F)F |
| Synonym | methyl triflate,methyl trifluoromethanesulphonate,methanesulfonic acid, trifluoro-, methyl ester,triflate ester,methyl trifluoromethane sulfonate,trifluoromethanesulfonic acid methyl ester,unii-7b25z22epv,ccris 1158,methyltrifluoromethanesulfonate,methanesulfonic acid, 1,1,1-trifluoro-, methyl ester |
| IUPAC Name | methyl trifluoromethanesulfonate |
| InChI Key | OIRDBPQYVWXNSJ-UHFFFAOYSA-N |
| Molecular Formula | C2H3F3O3S |
1-Thio-beta-D-glucose tetraacetate, 98+%
CAS: 19879-84-6 Molecular Formula: C14H20O9S Molecular Weight (g/mol): 364.37 MDL Number: MFCD00063271 InChI Key: SFOZKJGZNOBSHF-UHFFFAOYNA-N Synonym: 1-thio-beta-d-glucose tetraacetate,2r,3r,4s,5r,6s-2-acetoxymethyl-6-mercaptotetrahydro-2h-pyran-3,4,5-triyl triacetate,1-thio-b-d-glucose tetraacetate,1-thio-beta-d-glucose 2,3,4,6-tetraacetate,2,3,4,6-tetra-o-acetyl-1-thio-beta-d-glucopyranose,1-thio-,a-d-glucose tetraacetate,2r,3r,4s,5r,6s-3,4,5-tris acetyloxy-6-sulfanyloxan-2-yl methyl acetate,2,3,4,6-tetra-o-acetyl-1-thio-,a-d-glucopyranose,beta-d-thioglucose tetraacetate,1-thio-ss-d-glucose tetraacetate PubChem CID: 88293 IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-sulfanyloxan-2-yl]methyl acetate SMILES: CC(=O)OCC1OC(S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
| PubChem CID | 88293 |
|---|---|
| CAS | 19879-84-6 |
| Molecular Weight (g/mol) | 364.37 |
| MDL Number | MFCD00063271 |
| SMILES | CC(=O)OCC1OC(S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
| Synonym | 1-thio-beta-d-glucose tetraacetate,2r,3r,4s,5r,6s-2-acetoxymethyl-6-mercaptotetrahydro-2h-pyran-3,4,5-triyl triacetate,1-thio-b-d-glucose tetraacetate,1-thio-beta-d-glucose 2,3,4,6-tetraacetate,2,3,4,6-tetra-o-acetyl-1-thio-beta-d-glucopyranose,1-thio-,a-d-glucose tetraacetate,2r,3r,4s,5r,6s-3,4,5-tris acetyloxy-6-sulfanyloxan-2-yl methyl acetate,2,3,4,6-tetra-o-acetyl-1-thio-,a-d-glucopyranose,beta-d-thioglucose tetraacetate,1-thio-ss-d-glucose tetraacetate |
| IUPAC Name | [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-sulfanyloxan-2-yl]methyl acetate |
| InChI Key | SFOZKJGZNOBSHF-UHFFFAOYNA-N |
| Molecular Formula | C14H20O9S |
Indoxyl acetate, 97%
CAS: 608-08-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00014561 InChI Key: JBOPQACSHPPKEP-UHFFFAOYSA-N Synonym: 3-acetoxyindole,indoxyl acetate,3-indoxyl acetate,indoxyl-o-acetate,3-indolyl acetate,indole, 3-acetato,indoxylacetate,1h-indol-3-ol, 3-acetate,1h-indol-3-ol, acetate ester,acetic acid, 3-indolyl ester PubChem CID: 11841 IUPAC Name: 1H-indol-3-yl acetate SMILES: CC(=O)OC1=CNC2=CC=CC=C21
| PubChem CID | 11841 |
|---|---|
| CAS | 608-08-2 |
| Molecular Weight (g/mol) | 175.19 |
| MDL Number | MFCD00014561 |
| SMILES | CC(=O)OC1=CNC2=CC=CC=C21 |
| Synonym | 3-acetoxyindole,indoxyl acetate,3-indoxyl acetate,indoxyl-o-acetate,3-indolyl acetate,indole, 3-acetato,indoxylacetate,1h-indol-3-ol, 3-acetate,1h-indol-3-ol, acetate ester,acetic acid, 3-indolyl ester |
| IUPAC Name | 1H-indol-3-yl acetate |
| InChI Key | JBOPQACSHPPKEP-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
1,3-Dibromo-5,5-dimethylhydantoin, 98%
CAS: 77-48-5 Molecular Formula: C5H6Br2N2O2 Molecular Weight (g/mol): 285.91 MDL Number: MFCD00003189 InChI Key: VRLDVERQJMEPIF-UHFFFAOYSA-N Synonym: 1,3-dibromo-5,5-dimethylhydantoin,dibromantin,dibromantine,take charge orange,dbdmh,n,n'-dibromodimethylhydantoin,5,5-dimethyl-1,3-dibromohydantoin,2,4-imidazolidinedione, 1,3-dibromo-5,5-dimethyl,1,3-dibromo-5,5-dimethyl-2,4-imidazolidinedione,unii-v9r5f9i7mz PubChem CID: 6479 IUPAC Name: 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione SMILES: CC1(C(=O)N(C(=O)N1Br)Br)C
| PubChem CID | 6479 |
|---|---|
| CAS | 77-48-5 |
| Molecular Weight (g/mol) | 285.91 |
| MDL Number | MFCD00003189 |
| SMILES | CC1(C(=O)N(C(=O)N1Br)Br)C |
| Synonym | 1,3-dibromo-5,5-dimethylhydantoin,dibromantin,dibromantine,take charge orange,dbdmh,n,n'-dibromodimethylhydantoin,5,5-dimethyl-1,3-dibromohydantoin,2,4-imidazolidinedione, 1,3-dibromo-5,5-dimethyl,1,3-dibromo-5,5-dimethyl-2,4-imidazolidinedione,unii-v9r5f9i7mz |
| IUPAC Name | 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione |
| InChI Key | VRLDVERQJMEPIF-UHFFFAOYSA-N |
| Molecular Formula | C5H6Br2N2O2 |
Benzenesulfonic acid, 90%, technical
CAS: 98-11-3 Molecular Formula: C6H6O3S Molecular Weight (g/mol): 158.17 MDL Number: MFCD00011689 InChI Key: SRSXLGNVWSONIS-UHFFFAOYSA-N Synonym: benzenesulphonic acid,phenylsulfonic acid,besylic acid,benzene sulphonic acid,benzenemonosulfonic acid,benzene sulfonic acid,kyselina benzensulfonova,benzensulfonic acid,ccris 4595,kyselina benzensulfonova czech PubChem CID: 7371 ChEBI: CHEBI:64455 IUPAC Name: benzenesulfonic acid SMILES: C1=CC=C(C=C1)S(=O)(=O)O
| PubChem CID | 7371 |
|---|---|
| CAS | 98-11-3 |
| Molecular Weight (g/mol) | 158.17 |
| ChEBI | CHEBI:64455 |
| MDL Number | MFCD00011689 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)O |
| Synonym | benzenesulphonic acid,phenylsulfonic acid,besylic acid,benzene sulphonic acid,benzenemonosulfonic acid,benzene sulfonic acid,kyselina benzensulfonova,benzensulfonic acid,ccris 4595,kyselina benzensulfonova czech |
| IUPAC Name | benzenesulfonic acid |
| InChI Key | SRSXLGNVWSONIS-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3S |
2-Furoic acid hydrazide, 98%
CAS: 3326-71-4 MDL Number: MFCD00003235 InChI Key: SKTSVWWOAIAIKI-UHFFFAOYSA-N Synonym: 2-furoic acid hydrazide,2-furoic hydrazide,2-furohydrazide,furoylhydrazide,2-furancarbohydrazide,2-furoylhydrazide,furoic acid, hydrazide,2-furoic acid, hydrazide,2-furoylhydrazine,2-furylcarbonylhydrazide PubChem CID: 18731 IUPAC Name: furan-2-carbohydrazide SMILES: C1=COC(=C1)C(=O)NN
| PubChem CID | 18731 |
|---|---|
| CAS | 3326-71-4 |
| MDL Number | MFCD00003235 |
| SMILES | C1=COC(=C1)C(=O)NN |
| Synonym | 2-furoic acid hydrazide,2-furoic hydrazide,2-furohydrazide,furoylhydrazide,2-furancarbohydrazide,2-furoylhydrazide,furoic acid, hydrazide,2-furoic acid, hydrazide,2-furoylhydrazine,2-furylcarbonylhydrazide |
| IUPAC Name | furan-2-carbohydrazide |
| InChI Key | SKTSVWWOAIAIKI-UHFFFAOYSA-N |
Phenylphosphonic acid, 98%
CAS: 1571-33-1 Molecular Formula: C6H7O3P Molecular Weight (g/mol): 158.09 MDL Number: MFCD00002136 InChI Key: QLZHNIAADXEJJP-UHFFFAOYSA-N Synonym: benzenephosphonic acid,phosphonic acid, phenyl,phenyl-phosphonic acid,phosphonic acid, p-phenyl,phenyl phosphonic acid,unii-byd76t2868,sv7,pubchem21303,phosphonic acid,phenyl,wln: qpqo&r PubChem CID: 15295 IUPAC Name: phenylphosphonic acid SMILES: OP(O)(=O)C1=CC=CC=C1
| PubChem CID | 15295 |
|---|---|
| CAS | 1571-33-1 |
| Molecular Weight (g/mol) | 158.09 |
| MDL Number | MFCD00002136 |
| SMILES | OP(O)(=O)C1=CC=CC=C1 |
| Synonym | benzenephosphonic acid,phosphonic acid, phenyl,phenyl-phosphonic acid,phosphonic acid, p-phenyl,phenyl phosphonic acid,unii-byd76t2868,sv7,pubchem21303,phosphonic acid,phenyl,wln: qpqo&r |
| IUPAC Name | phenylphosphonic acid |
| InChI Key | QLZHNIAADXEJJP-UHFFFAOYSA-N |
| Molecular Formula | C6H7O3P |