Organic acids and derivatives
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S-Methylisothiourea Sulfate 98.0+%, TCI America™
CAS: 867-44-7 Molecular Formula: C4H14N4O4S3 Molecular Weight (g/mol): 278.36 MDL Number: MFCD00013055 InChI Key: BZZXQZOBAUXLHZ-UHFFFAOYSA-N Synonym: s-methylisothiourea hemisulfate,2-methyl-2-thiopseudourea hemisulfate,carbamimidothioic acid, methyl ester, sulfate 2:1,s-methylisothiourea sulfate 2:1,s-methylthiouronium sulfate 2:1,bis 2-methylisothiouronium sulphate,methyl carbamimidothioate sulfate 2:1,methylcarbamimidothioate sulfate 2:1,s-methylisothiourea, sulfate,2-methyl-2-thiopseudourea sulfate 2:1 PubChem CID: 13347 IUPAC Name: methyl carbamimidothioate;sulfuric acid SMILES: CSC(=N)N.CSC(=N)N.OS(=O)(=O)O
| PubChem CID | 13347 |
|---|---|
| CAS | 867-44-7 |
| Molecular Weight (g/mol) | 278.36 |
| MDL Number | MFCD00013055 |
| SMILES | CSC(=N)N.CSC(=N)N.OS(=O)(=O)O |
| Synonym | s-methylisothiourea hemisulfate,2-methyl-2-thiopseudourea hemisulfate,carbamimidothioic acid, methyl ester, sulfate 2:1,s-methylisothiourea sulfate 2:1,s-methylthiouronium sulfate 2:1,bis 2-methylisothiouronium sulphate,methyl carbamimidothioate sulfate 2:1,methylcarbamimidothioate sulfate 2:1,s-methylisothiourea, sulfate,2-methyl-2-thiopseudourea sulfate 2:1 |
| IUPAC Name | methyl carbamimidothioate;sulfuric acid |
| InChI Key | BZZXQZOBAUXLHZ-UHFFFAOYSA-N |
| Molecular Formula | C4H14N4O4S3 |
1,1-Diethylguanidine Sulfate 98.0+%, TCI America™
CAS: 77297-00-8 Molecular Formula: C10H28N6O4S Molecular Weight (g/mol): 328.432 MDL Number: MFCD00035597 InChI Key: VZAFCEFGYOMBML-UHFFFAOYSA-N PubChem CID: 6453680 IUPAC Name: 1,1-diethylguanidine;sulfuric acid SMILES: CCN(CC)C(=N)N.CCN(CC)C(=N)N.OS(=O)(=O)O
| PubChem CID | 6453680 |
|---|---|
| CAS | 77297-00-8 |
| Molecular Weight (g/mol) | 328.432 |
| MDL Number | MFCD00035597 |
| SMILES | CCN(CC)C(=N)N.CCN(CC)C(=N)N.OS(=O)(=O)O |
| IUPAC Name | 1,1-diethylguanidine;sulfuric acid |
| InChI Key | VZAFCEFGYOMBML-UHFFFAOYSA-N |
| Molecular Formula | C10H28N6O4S |
2-Cyanoethyl Acrylate (stabilized with MEHQ) 95.0+%, TCI America™
CAS: 106-71-8 Molecular Formula: C6H7NO2 Molecular Weight (g/mol): 125.13 MDL Number: MFCD00013823 InChI Key: AEPWOCLBLLCOGZ-UHFFFAOYSA-N Synonym: Acrylic Acid 2-Cyanoethyl Ester, 3-Acryloyloxypropionitrile PubChem CID: 7825 IUPAC Name: 2-cyanoethyl prop-2-enoate SMILES: C=CC(=O)OCCC#N
| PubChem CID | 7825 |
|---|---|
| CAS | 106-71-8 |
| Molecular Weight (g/mol) | 125.13 |
| MDL Number | MFCD00013823 |
| SMILES | C=CC(=O)OCCC#N |
| Synonym | Acrylic Acid 2-Cyanoethyl Ester, 3-Acryloyloxypropionitrile |
| IUPAC Name | 2-cyanoethyl prop-2-enoate |
| InChI Key | AEPWOCLBLLCOGZ-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2 |
trans-4-Pentylcyclohexanecarboxylic Acid 99.0+%, TCI America™
CAS: 38289-29-1 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.306 MDL Number: MFCD00009964 InChI Key: RVLAXPQGTRTHEV-UHFFFAOYSA-N Synonym: trans-4-pentylcyclohexanecarboxylic acid,4-pentylcyclohexanecarboxylic acid,trans-4-n-pentylcyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-pentyl,trans-4-amylcyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-pentyl-, trans,4-n-pentylcyclohexane carboxylic acid,4-amylcyclohexanecarboxylic acid,rvlaxpqgtrthev-xypyzodxsa-n,1s,4r-4-pentylcyclohexane-1-carboxylic acid PubChem CID: 98882 IUPAC Name: 4-pentylcyclohexane-1-carboxylic acid SMILES: CCCCCC1CCC(CC1)C(=O)O
| PubChem CID | 98882 |
|---|---|
| CAS | 38289-29-1 |
| Molecular Weight (g/mol) | 198.306 |
| MDL Number | MFCD00009964 |
| SMILES | CCCCCC1CCC(CC1)C(=O)O |
| Synonym | trans-4-pentylcyclohexanecarboxylic acid,4-pentylcyclohexanecarboxylic acid,trans-4-n-pentylcyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-pentyl,trans-4-amylcyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-pentyl-, trans,4-n-pentylcyclohexane carboxylic acid,4-amylcyclohexanecarboxylic acid,rvlaxpqgtrthev-xypyzodxsa-n,1s,4r-4-pentylcyclohexane-1-carboxylic acid |
| IUPAC Name | 4-pentylcyclohexane-1-carboxylic acid |
| InChI Key | RVLAXPQGTRTHEV-UHFFFAOYSA-N |
| Molecular Formula | C12H22O2 |
Methyl 3-Cyclohexene-1-carboxylate 98.0+%, TCI America™
CAS: 6493-77-2 Molecular Formula: C8H12O2 Molecular Weight (g/mol): 140.18 MDL Number: MFCD00053266 InChI Key: IPUNVLFESXFVFH-UHFFFAOYNA-N Synonym: methyl cyclohex-3-enecarboxylate,3-cyclohexene-1-carboxylic acid methyl ester,methyl 3-cyclohexenecarboxylate,3-cyclohexene-1-carboxylic acid, methyl ester,methyl 3-cyclohexene-1-carboxylate,1-carbomethoxy-3-cyclohexene,methyl 4-cyclohexenecarboxylate,methyl 1,2,3,6-tetrahydrobenzoate,1,3-butadiene-methyl acrylate adduct,acmc-1bity PubChem CID: 96926 IUPAC Name: methyl cyclohex-3-ene-1-carboxylate SMILES: COC(=O)C1CCC=CC1
| PubChem CID | 96926 |
|---|---|
| CAS | 6493-77-2 |
| Molecular Weight (g/mol) | 140.18 |
| MDL Number | MFCD00053266 |
| SMILES | COC(=O)C1CCC=CC1 |
| Synonym | methyl cyclohex-3-enecarboxylate,3-cyclohexene-1-carboxylic acid methyl ester,methyl 3-cyclohexenecarboxylate,3-cyclohexene-1-carboxylic acid, methyl ester,methyl 3-cyclohexene-1-carboxylate,1-carbomethoxy-3-cyclohexene,methyl 4-cyclohexenecarboxylate,methyl 1,2,3,6-tetrahydrobenzoate,1,3-butadiene-methyl acrylate adduct,acmc-1bity |
| IUPAC Name | methyl cyclohex-3-ene-1-carboxylate |
| InChI Key | IPUNVLFESXFVFH-UHFFFAOYNA-N |
| Molecular Formula | C8H12O2 |
Triethylenetetramine-N,N,N',N″,N‴,N‴-hexaacetic Acid 98.0+%, TCI America™
CAS: 869-52-3 Molecular Formula: C18H30N4O12 Molecular Weight (g/mol): 494.454 MDL Number: MFCD00004290 InChI Key: RAEOEMDZDMCHJA-UHFFFAOYSA-N Synonym: ttha,hexaacetic acid,triethylenetetraminehexaacetate,3,6,9,12-tetraazatetradecanedioic acid, 3,6,9,12-tetrakis carboxymethyl,triethylenetetranitrilohexaacetic acid,triethylenetetramine-n,n,n',n,n',n'-hexaacetic acid,triethylenetetramine-n,n,n',n',n,n-hexaacetic acid,triethylenetetramine-n,n,n',n,n',3,6,9,12-tetrakis carboxymethyl-3,6,9,12-tetraazatetradecanedioic acid,3,6,9,12-tetrakis carboxymethyl-3,6,9,12-tetraazatetradecane-1,14-dioic acid PubChem CID: 70088 IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid SMILES: C(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
| PubChem CID | 70088 |
|---|---|
| CAS | 869-52-3 |
| Molecular Weight (g/mol) | 494.454 |
| MDL Number | MFCD00004290 |
| SMILES | C(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O |
| Synonym | ttha,hexaacetic acid,triethylenetetraminehexaacetate,3,6,9,12-tetraazatetradecanedioic acid, 3,6,9,12-tetrakis carboxymethyl,triethylenetetranitrilohexaacetic acid,triethylenetetramine-n,n,n',n,n',n'-hexaacetic acid,triethylenetetramine-n,n,n',n',n,n-hexaacetic acid,triethylenetetramine-n,n,n',n,n',3,6,9,12-tetrakis carboxymethyl-3,6,9,12-tetraazatetradecanedioic acid,3,6,9,12-tetrakis carboxymethyl-3,6,9,12-tetraazatetradecane-1,14-dioic acid |
| IUPAC Name | 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid |
| InChI Key | RAEOEMDZDMCHJA-UHFFFAOYSA-N |
| Molecular Formula | C18H30N4O12 |
Tebuthiuron 98.0+%, TCI America™
CAS: 34014-18-1 Molecular Formula: C9H16N4OS Molecular Weight (g/mol): 228.314 MDL Number: MFCD00078732 InChI Key: HBPDKDSFLXWOAE-UHFFFAOYSA-N Synonym: tebuthiuron,spike,graslan,perflan,brulan,tiurolan,prefmid,tebulan,brush bullet,1-5-tert-butyl-1,3,4-thiadiazol-2-yl-1,3-dimethylurea PubChem CID: 5383 ChEBI: CHEBI:81745 IUPAC Name: 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea SMILES: CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC
| PubChem CID | 5383 |
|---|---|
| CAS | 34014-18-1 |
| Molecular Weight (g/mol) | 228.314 |
| ChEBI | CHEBI:81745 |
| MDL Number | MFCD00078732 |
| SMILES | CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC |
| Synonym | tebuthiuron,spike,graslan,perflan,brulan,tiurolan,prefmid,tebulan,brush bullet,1-5-tert-butyl-1,3,4-thiadiazol-2-yl-1,3-dimethylurea |
| IUPAC Name | 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea |
| InChI Key | HBPDKDSFLXWOAE-UHFFFAOYSA-N |
| Molecular Formula | C9H16N4OS |
(3S,5R)-5-(2,4-Difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]oxolan-3-ylmethyl p-Toluenesulfonate 98.0+%, TCI America™
CAS: 149809-43-8 Molecular Formula: C21H21F2N3O4S Molecular Weight (g/mol): 449.473 MDL Number: MFCD13195567 InChI Key: DFWVLCJRFGIRAK-UHFFFAOYSA-N Synonym: p-Toluenesulfonic Acid (3S,5R)-5-(2,4-Difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]oxolan-3-ylmethyl Ester PubChem CID: 73090135 IUPAC Name: [5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(OC2)(CN3C=NC=N3)C4=C(C=C(C=C4)F)F
| PubChem CID | 73090135 |
|---|---|
| CAS | 149809-43-8 |
| Molecular Weight (g/mol) | 449.473 |
| MDL Number | MFCD13195567 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(OC2)(CN3C=NC=N3)C4=C(C=C(C=C4)F)F |
| Synonym | p-Toluenesulfonic Acid (3S,5R)-5-(2,4-Difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]oxolan-3-ylmethyl Ester |
| IUPAC Name | [5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-methylbenzenesulfonate |
| InChI Key | DFWVLCJRFGIRAK-UHFFFAOYSA-N |
| Molecular Formula | C21H21F2N3O4S |
Vinyl 2-Chlorobenzoate (stabilized with HQ) 98.0+%, TCI America™
CAS: 15721-27-4 Molecular Formula: C9H7ClO2 Molecular Weight (g/mol): 182.603 MDL Number: MFCD00059479 InChI Key: ZJIHUSWGELHYBJ-UHFFFAOYSA-N Synonym: 2-Chlorobenzoic Acid Vinyl Ester PubChem CID: 587335 IUPAC Name: ethenyl 2-chlorobenzoate SMILES: C=COC(=O)C1=CC=CC=C1Cl
| PubChem CID | 587335 |
|---|---|
| CAS | 15721-27-4 |
| Molecular Weight (g/mol) | 182.603 |
| MDL Number | MFCD00059479 |
| SMILES | C=COC(=O)C1=CC=CC=C1Cl |
| Synonym | 2-Chlorobenzoic Acid Vinyl Ester |
| IUPAC Name | ethenyl 2-chlorobenzoate |
| InChI Key | ZJIHUSWGELHYBJ-UHFFFAOYSA-N |
| Molecular Formula | C9H7ClO2 |
4-Fluoro-3-methoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 854778-31-7 Molecular Formula: C7H8BFO3 Molecular Weight (g/mol): 169.95 MDL Number: MFCD08056358 InChI Key: LUJMSRVFSBMEOY-UHFFFAOYSA-N PubChem CID: 44558185 IUPAC Name: (4-fluoro-3-methoxyphenyl)boronic acid SMILES: COC1=C(F)C=CC(=C1)B(O)O
| PubChem CID | 44558185 |
|---|---|
| CAS | 854778-31-7 |
| Molecular Weight (g/mol) | 169.95 |
| MDL Number | MFCD08056358 |
| SMILES | COC1=C(F)C=CC(=C1)B(O)O |
| IUPAC Name | (4-fluoro-3-methoxyphenyl)boronic acid |
| InChI Key | LUJMSRVFSBMEOY-UHFFFAOYSA-N |
| Molecular Formula | C7H8BFO3 |
2-Bromophenyl p-Toluenesulfonate 98.0+%, TCI America™
CAS: 84672-48-0 Molecular Formula: C13H11BrO3S Molecular Weight (g/mol): 327.192 MDL Number: MFCD19707445 InChI Key: ZXJVRRGBOXUFSQ-UHFFFAOYSA-N Synonym: p-Toluenesulfonic Acid 2-Bromophenyl Ester, 2-Bromophenyl Tosylate PubChem CID: 262269 IUPAC Name: (2-bromophenyl) 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2Br
| PubChem CID | 262269 |
|---|---|
| CAS | 84672-48-0 |
| Molecular Weight (g/mol) | 327.192 |
| MDL Number | MFCD19707445 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2Br |
| Synonym | p-Toluenesulfonic Acid 2-Bromophenyl Ester, 2-Bromophenyl Tosylate |
| IUPAC Name | (2-bromophenyl) 4-methylbenzenesulfonate |
| InChI Key | ZXJVRRGBOXUFSQ-UHFFFAOYSA-N |
| Molecular Formula | C13H11BrO3S |
Methyl trans-4-(Aminomethyl)cyclohexanecarboxylate Hydrochloride 98.0+%, TCI America™
CAS: 29275-88-5 Molecular Formula: C9H18ClNO2 Molecular Weight (g/mol): 207.698 MDL Number: MFCD00797465 InChI Key: PZPSRTWFJCGJLP-UHFFFAOYSA-N Synonym: trans-4-(Aminomethyl)cyclohexanecarboxylic Acid Methyl Ester Hydrochloride PubChem CID: 12721445 IUPAC Name: methyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride SMILES: COC(=O)C1CCC(CC1)CN.Cl
| PubChem CID | 12721445 |
|---|---|
| CAS | 29275-88-5 |
| Molecular Weight (g/mol) | 207.698 |
| MDL Number | MFCD00797465 |
| SMILES | COC(=O)C1CCC(CC1)CN.Cl |
| Synonym | trans-4-(Aminomethyl)cyclohexanecarboxylic Acid Methyl Ester Hydrochloride |
| IUPAC Name | methyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride |
| InChI Key | PZPSRTWFJCGJLP-UHFFFAOYSA-N |
| Molecular Formula | C9H18ClNO2 |
S-(2-Methyl-3-furyl) Thioacetate 96.0+%, TCI America™
CAS: 55764-25-5 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.20 MDL Number: MFCD01632595 InChI Key: PQFIBPDAGFGLBY-UHFFFAOYSA-N Synonym: 2-methylfuran-3-thiol acetate,3-acetylthio-2-methylfuran,ethanethioic acid, s-2-methyl-3-furanyl ester,s-2-methyl-3-furyl thioacetate,s-2-methyl-3-furyl ethanethioate,2-methyl-3-furanthiol, acetate,unii-7277jee7af,s-2-methylfuran-3-yl ethanethioate,thioacetic acid s-2-methyl-3-furyl ester,1-2-methylfuran-3-yl sulfanyl ethanone PubChem CID: 108765 IUPAC Name: 1-[(2-methylfuran-3-yl)sulfanyl]ethan-1-one SMILES: CC(=O)SC1=C(C)OC=C1
| PubChem CID | 108765 |
|---|---|
| CAS | 55764-25-5 |
| Molecular Weight (g/mol) | 156.20 |
| MDL Number | MFCD01632595 |
| SMILES | CC(=O)SC1=C(C)OC=C1 |
| Synonym | 2-methylfuran-3-thiol acetate,3-acetylthio-2-methylfuran,ethanethioic acid, s-2-methyl-3-furanyl ester,s-2-methyl-3-furyl thioacetate,s-2-methyl-3-furyl ethanethioate,2-methyl-3-furanthiol, acetate,unii-7277jee7af,s-2-methylfuran-3-yl ethanethioate,thioacetic acid s-2-methyl-3-furyl ester,1-2-methylfuran-3-yl sulfanyl ethanone |
| IUPAC Name | 1-[(2-methylfuran-3-yl)sulfanyl]ethan-1-one |
| InChI Key | PQFIBPDAGFGLBY-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2S |
(R)-(-)-4-Isopropyl-3-propionyl-2-oxazolidinone 98.0+%, TCI America™
CAS: 89028-40-0 Molecular Formula: C9H15NO3 Molecular Weight (g/mol): 185.223 MDL Number: MFCD00269691 InChI Key: HOWPHXVPNNPSAZ-ZETCQYMHSA-N Synonym: (R)-(-)-3-Propionyl-4-isopropyl-2-oxazolidinone PubChem CID: 643512 IUPAC Name: (4R)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one SMILES: CCC(=O)N1C(COC1=O)C(C)C
| PubChem CID | 643512 |
|---|---|
| CAS | 89028-40-0 |
| Molecular Weight (g/mol) | 185.223 |
| MDL Number | MFCD00269691 |
| SMILES | CCC(=O)N1C(COC1=O)C(C)C |
| Synonym | (R)-(-)-3-Propionyl-4-isopropyl-2-oxazolidinone |
| IUPAC Name | (4R)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one |
| InChI Key | HOWPHXVPNNPSAZ-ZETCQYMHSA-N |
| Molecular Formula | C9H15NO3 |
Ethyl 2,3-Dibromopropionate 98.0+%, TCI America™
CAS: 3674-13-3 Molecular Formula: C5H8Br2O2 Molecular Weight (g/mol): 259.925 MDL Number: MFCD00000212 InChI Key: OENICUBCLXKLJQ-UHFFFAOYSA-N Synonym: ethyl 2,3-dibromopropionate,propanoic acid, 2,3-dibromo-, ethyl ester,ethyl alpha,beta-dibromopropionate,propionic acid, 2,3-dibromo-, ethyl ester,ethyl-2,3-dibromopropionate,2,3-dibromopropionic acid ethyl ester,ethyl .alpha.,.beta.-dibromopropionate,propionic acid, 2,3-dibromo-, ethyl ester 6ci,7ci,8ci,ethyl2,3-dibromopropionate,acmc-1ahn6 PubChem CID: 97945 IUPAC Name: ethyl 2,3-dibromopropanoate SMILES: CCOC(=O)C(CBr)Br
| PubChem CID | 97945 |
|---|---|
| CAS | 3674-13-3 |
| Molecular Weight (g/mol) | 259.925 |
| MDL Number | MFCD00000212 |
| SMILES | CCOC(=O)C(CBr)Br |
| Synonym | ethyl 2,3-dibromopropionate,propanoic acid, 2,3-dibromo-, ethyl ester,ethyl alpha,beta-dibromopropionate,propionic acid, 2,3-dibromo-, ethyl ester,ethyl-2,3-dibromopropionate,2,3-dibromopropionic acid ethyl ester,ethyl .alpha.,.beta.-dibromopropionate,propionic acid, 2,3-dibromo-, ethyl ester 6ci,7ci,8ci,ethyl2,3-dibromopropionate,acmc-1ahn6 |
| IUPAC Name | ethyl 2,3-dibromopropanoate |
| InChI Key | OENICUBCLXKLJQ-UHFFFAOYSA-N |
| Molecular Formula | C5H8Br2O2 |