Organic compounds
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3-Ethynylthiophene 97.0+%, TCI America™
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CAS: 67237-53-0 Molecular Formula: C6H4S Molecular Weight (g/mol): 108.158 MDL Number: MFCD04039973 InChI Key: MJHLPKWONJUCFK-UHFFFAOYSA-N Synonym: 3-ethynyl thiophene,thiophene, 3-ethynyl,3-thienylacetylene,thiophen-3-yl acetylene,3-ethynyl-thiophene,3-ethynyl thiophene;,pubchem16122,thien-3-yl acetylene,3-ethynylthiophene,ksc352m9b PubChem CID: 3548422 IUPAC Name: 3-ethynylthiophene SMILES: C#CC1=CSC=C1
| PubChem CID | 3548422 |
|---|---|
| CAS | 67237-53-0 |
| Molecular Weight (g/mol) | 108.158 |
| MDL Number | MFCD04039973 |
| SMILES | C#CC1=CSC=C1 |
| Synonym | 3-ethynyl thiophene,thiophene, 3-ethynyl,3-thienylacetylene,thiophen-3-yl acetylene,3-ethynyl-thiophene,3-ethynyl thiophene;,pubchem16122,thien-3-yl acetylene,3-ethynylthiophene,ksc352m9b |
| IUPAC Name | 3-ethynylthiophene |
| InChI Key | MJHLPKWONJUCFK-UHFFFAOYSA-N |
| Molecular Formula | C6H4S |
Dansyl Fluoride 98.0+%, TCI America™
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CAS: 34523-28-9 Molecular Formula: C12H12FNO2S Molecular Weight (g/mol): 253.291 MDL Number: MFCD00042702 InChI Key: JMHHECQPPFEVMU-UHFFFAOYSA-N Synonym: 5-Dimethylaminonaphthalene-1-sulfonyl Fluoride PubChem CID: 93175 IUPAC Name: 5-(dimethylamino)naphthalene-1-sulfonyl fluoride SMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)F
| PubChem CID | 93175 |
|---|---|
| CAS | 34523-28-9 |
| Molecular Weight (g/mol) | 253.291 |
| MDL Number | MFCD00042702 |
| SMILES | CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)F |
| Synonym | 5-Dimethylaminonaphthalene-1-sulfonyl Fluoride |
| IUPAC Name | 5-(dimethylamino)naphthalene-1-sulfonyl fluoride |
| InChI Key | JMHHECQPPFEVMU-UHFFFAOYSA-N |
| Molecular Formula | C12H12FNO2S |
Suberoyl Chloride 98.0+%, TCI America™
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CAS: 10027-07-3 Molecular Formula: C8H12Cl2O2 Molecular Weight (g/mol): 211.082 MDL Number: MFCD00000764 InChI Key: PUIBKAHUQOOLSW-UHFFFAOYSA-N Synonym: suberoyl chloride,suberoyl dichloride,suberic acid dichloride,suberyl chloride,suberyl dichloride,acmc-1bonz,octanedioic acid dichloride PubChem CID: 534653 IUPAC Name: octanedioyl dichloride SMILES: C(CCCC(=O)Cl)CCC(=O)Cl
| PubChem CID | 534653 |
|---|---|
| CAS | 10027-07-3 |
| Molecular Weight (g/mol) | 211.082 |
| MDL Number | MFCD00000764 |
| SMILES | C(CCCC(=O)Cl)CCC(=O)Cl |
| Synonym | suberoyl chloride,suberoyl dichloride,suberic acid dichloride,suberyl chloride,suberyl dichloride,acmc-1bonz,octanedioic acid dichloride |
| IUPAC Name | octanedioyl dichloride |
| InChI Key | PUIBKAHUQOOLSW-UHFFFAOYSA-N |
| Molecular Formula | C8H12Cl2O2 |
2-Chloro-6-(trifluoromethyl)pyridine 98.0+%, TCI America™
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CAS: 39890-95-4 Molecular Formula: C6H3ClF3N Molecular Weight (g/mol): 181.54 MDL Number: MFCD00042226 InChI Key: ADVQMCQMDHBTHJ-UHFFFAOYSA-N Synonym: 2-chloro-6-trifluoromethyl pyridine,2-chloro-6-trifluoromethyl-pyridine,6-chloro-2-trifluoromethyl pyridine,pyridine, 2-chloro-6-trifluoromethyl,6-chloro-2-trifluoromethylpyridine,6-chloro-alpha,alpha,alpha-trifluoro-2-picoline,pubchem2080,acmc-209j8p PubChem CID: 602334 IUPAC Name: 2-chloro-6-(trifluoromethyl)pyridine SMILES: FC(F)(F)C1=CC=CC(Cl)=N1
| PubChem CID | 602334 |
|---|---|
| CAS | 39890-95-4 |
| Molecular Weight (g/mol) | 181.54 |
| MDL Number | MFCD00042226 |
| SMILES | FC(F)(F)C1=CC=CC(Cl)=N1 |
| Synonym | 2-chloro-6-trifluoromethyl pyridine,2-chloro-6-trifluoromethyl-pyridine,6-chloro-2-trifluoromethyl pyridine,pyridine, 2-chloro-6-trifluoromethyl,6-chloro-2-trifluoromethylpyridine,6-chloro-alpha,alpha,alpha-trifluoro-2-picoline,pubchem2080,acmc-209j8p |
| IUPAC Name | 2-chloro-6-(trifluoromethyl)pyridine |
| InChI Key | ADVQMCQMDHBTHJ-UHFFFAOYSA-N |
| Molecular Formula | C6H3ClF3N |
Calix[4]arene (contains ca. 8% Chloroform) 98.0+%, TCI America™
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CAS: 74568-07-3 Molecular Formula: C28H24O4 Molecular Weight (g/mol): 424.496 MDL Number: MFCD00143912 InChI Key: YPNHVQZZPXPQOS-UHFFFAOYSA-N Synonym: calix 4 arene,tetrahydroxycalix 4 arene,calix 4 arene 1g,calix 4 arene-25,26,27,28-tetrol,25,26,27,28-tetrahydroxycalix 4 aren,25,26,27,28-tetrahydroxycalix 4 arene,calix 4 arene-25,26,27,28-tetrol, purum hplc PubChem CID: 562409 SMILES: C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=CC=CC(=C4O)CC5=CC=CC1=C5O)O)O
| PubChem CID | 562409 |
|---|---|
| CAS | 74568-07-3 |
| Molecular Weight (g/mol) | 424.496 |
| MDL Number | MFCD00143912 |
| SMILES | C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=CC=CC(=C4O)CC5=CC=CC1=C5O)O)O |
| Synonym | calix 4 arene,tetrahydroxycalix 4 arene,calix 4 arene 1g,calix 4 arene-25,26,27,28-tetrol,25,26,27,28-tetrahydroxycalix 4 aren,25,26,27,28-tetrahydroxycalix 4 arene,calix 4 arene-25,26,27,28-tetrol, purum hplc |
| InChI Key | YPNHVQZZPXPQOS-UHFFFAOYSA-N |
| Molecular Formula | C28H24O4 |
1-Chloro-2-methylpentane 98.0+%, TCI America™
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CAS: 14753-05-0 Molecular Formula: C6H13Cl Molecular Weight (g/mol): 120.62 MDL Number: MFCD00053236 InChI Key: SLBTUZZYJLBZQV-UHFFFAOYSA-N PubChem CID: 527856 IUPAC Name: 1-chloro-2-methylpentane SMILES: CCCC(C)CCl
| PubChem CID | 527856 |
|---|---|
| CAS | 14753-05-0 |
| Molecular Weight (g/mol) | 120.62 |
| MDL Number | MFCD00053236 |
| SMILES | CCCC(C)CCl |
| IUPAC Name | 1-chloro-2-methylpentane |
| InChI Key | SLBTUZZYJLBZQV-UHFFFAOYSA-N |
| Molecular Formula | C6H13Cl |
2-(1-Pyrazolyl)pyridine 98.0+%, TCI America™
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CAS: 25700-11-2 Molecular Formula: C8H7N3 Molecular Weight (g/mol): 145.17 MDL Number: MFCD09033534 InChI Key: XXTPHXNBKRVYJI-UHFFFAOYSA-N PubChem CID: 5324086 IUPAC Name: 2-(1H-pyrazol-1-yl)pyridine SMILES: C1=CN(N=C1)C1=CC=CC=N1
| PubChem CID | 5324086 |
|---|---|
| CAS | 25700-11-2 |
| Molecular Weight (g/mol) | 145.17 |
| MDL Number | MFCD09033534 |
| SMILES | C1=CN(N=C1)C1=CC=CC=N1 |
| IUPAC Name | 2-(1H-pyrazol-1-yl)pyridine |
| InChI Key | XXTPHXNBKRVYJI-UHFFFAOYSA-N |
| Molecular Formula | C8H7N3 |
5-Methylsalicylic Acid 98.0+%, TCI America™
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CAS: 89-56-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002461 InChI Key: DLGBEGBHXSAQOC-UHFFFAOYSA-N Synonym: 5-methylsalicylic acid,p-cresotic acid,p-cresotinic acid,6-hydroxy-m-toluic acid,p-homosalicylic acid,2,5-cresotic acid,benzoic acid, 2-hydroxy-5-methyl,5-methyl-2-hydroxybenzoic acid,6-hydroxy-3-methylbenzoic acid,alpha-cresotinic acid PubChem CID: 6973 IUPAC Name: 2-hydroxy-5-methylbenzoic acid SMILES: CC1=CC(=C(C=C1)O)C(=O)O
| PubChem CID | 6973 |
|---|---|
| CAS | 89-56-5 |
| Molecular Weight (g/mol) | 152.149 |
| MDL Number | MFCD00002461 |
| SMILES | CC1=CC(=C(C=C1)O)C(=O)O |
| Synonym | 5-methylsalicylic acid,p-cresotic acid,p-cresotinic acid,6-hydroxy-m-toluic acid,p-homosalicylic acid,2,5-cresotic acid,benzoic acid, 2-hydroxy-5-methyl,5-methyl-2-hydroxybenzoic acid,6-hydroxy-3-methylbenzoic acid,alpha-cresotinic acid |
| IUPAC Name | 2-hydroxy-5-methylbenzoic acid |
| InChI Key | DLGBEGBHXSAQOC-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
3-Amino-5-tert-butylisoxazole 97.0+%, TCI America™
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CAS: 55809-36-4 Molecular Formula: C7H12N2O Molecular Weight (g/mol): 140.186 MDL Number: MFCD00055620 InChI Key: GGXGVZJHUKEJHO-UHFFFAOYSA-N Synonym: 3-amino-5-tert-butylisoxazole,5-tert-butylisoxazol-3-amine,3-amino-5-t-butylisoxazole,5-tert-butyl isoxazol-3-amine,3-isoxazolamine, 5-1,1-dimethylethyl,3-amino-5-tertbutylisoxazole,5-tert-butyl-isoxazol-3-ylamine,3-amino-5-tert-butyl isoxazole,5-tert-butyl isoxazole-3-ylamine PubChem CID: 171473 IUPAC Name: 5-tert-butyl-1,2-oxazol-3-amine SMILES: CC(C)(C)C1=CC(=NO1)N
| PubChem CID | 171473 |
|---|---|
| CAS | 55809-36-4 |
| Molecular Weight (g/mol) | 140.186 |
| MDL Number | MFCD00055620 |
| SMILES | CC(C)(C)C1=CC(=NO1)N |
| Synonym | 3-amino-5-tert-butylisoxazole,5-tert-butylisoxazol-3-amine,3-amino-5-t-butylisoxazole,5-tert-butyl isoxazol-3-amine,3-isoxazolamine, 5-1,1-dimethylethyl,3-amino-5-tertbutylisoxazole,5-tert-butyl-isoxazol-3-ylamine,3-amino-5-tert-butyl isoxazole,5-tert-butyl isoxazole-3-ylamine |
| IUPAC Name | 5-tert-butyl-1,2-oxazol-3-amine |
| InChI Key | GGXGVZJHUKEJHO-UHFFFAOYSA-N |
| Molecular Formula | C7H12N2O |
2-(Methylamino)isobutyric Acid Hydrate 98.0+%, TCI America™
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CAS: 2566-34-9 Molecular Formula: C5H11NO2 Molecular Weight (g/mol): 117.148 MDL Number: MFCD00004191 InChI Key: DLAMVQGYEVKIRE-UHFFFAOYSA-N Synonym: 2-methylamino isobutyric acid,n,2-dimethylalanine,2-methyl-2-methylamino propanoic acid,alpha-methylamino isobutyric acid,meaib,alanine, n,2-dimethyl,n-methyl-a-aminoisobutyric acid,2-methylamino-2-methylpropionic acid,alpha-methylamino-isobutyric acid,2,n-dimethylalanine PubChem CID: 75725 IUPAC Name: 2-methyl-2-(methylamino)propanoic acid SMILES: CC(C)(C(=O)O)NC
| PubChem CID | 75725 |
|---|---|
| CAS | 2566-34-9 |
| Molecular Weight (g/mol) | 117.148 |
| MDL Number | MFCD00004191 |
| SMILES | CC(C)(C(=O)O)NC |
| Synonym | 2-methylamino isobutyric acid,n,2-dimethylalanine,2-methyl-2-methylamino propanoic acid,alpha-methylamino isobutyric acid,meaib,alanine, n,2-dimethyl,n-methyl-a-aminoisobutyric acid,2-methylamino-2-methylpropionic acid,alpha-methylamino-isobutyric acid,2,n-dimethylalanine |
| IUPAC Name | 2-methyl-2-(methylamino)propanoic acid |
| InChI Key | DLAMVQGYEVKIRE-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO2 |
2-Methyl-2-hexanol 96.0+%, TCI America™
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CAS: 625-23-0 Molecular Formula: C7H16O Molecular Weight (g/mol): 116.204 MDL Number: MFCD00004486 InChI Key: KRIMXCDMVRMCTC-UHFFFAOYSA-N Synonym: 2-methyl-2-hexanol,butyldimethylcarbinol,2-hexanol, 2-methyl,tert-heptyl alcohol,1,1-dimethyl-1-pentanol,tert-heptanol 9ci,methyl-2 hexanol-2,2-methyl-2-hexanoi,1-pentanol, dimethyl,2-methyl-2-hydroxyhexane PubChem CID: 12240 IUPAC Name: 2-methylhexan-2-ol SMILES: CCCCC(C)(C)O
| PubChem CID | 12240 |
|---|---|
| CAS | 625-23-0 |
| Molecular Weight (g/mol) | 116.204 |
| MDL Number | MFCD00004486 |
| SMILES | CCCCC(C)(C)O |
| Synonym | 2-methyl-2-hexanol,butyldimethylcarbinol,2-hexanol, 2-methyl,tert-heptyl alcohol,1,1-dimethyl-1-pentanol,tert-heptanol 9ci,methyl-2 hexanol-2,2-methyl-2-hexanoi,1-pentanol, dimethyl,2-methyl-2-hydroxyhexane |
| IUPAC Name | 2-methylhexan-2-ol |
| InChI Key | KRIMXCDMVRMCTC-UHFFFAOYSA-N |
| Molecular Formula | C7H16O |
Ethyl Thiooxamate 98.0+%, TCI America™
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CAS: 16982-21-1 Molecular Formula: C4H7NO2S Molecular Weight (g/mol): 133.165 MDL Number: MFCD00074903 InChI Key: YMBMCMOZIGSBOA-UHFFFAOYSA-N Synonym: ethyl 2-amino-2-thioxoacetate,ethyl carbamothioylformate,ethyl thioxamate,ethyl thiooxamidate,ethyl amino thioxo acetate,ethyl thiooxamat,ethyl aminothioxoacetate,ethyl 2-thiooxamate,acetic acid, aminothioxo-, ethyl ester,thiooxamic acid ethyl ester PubChem CID: 2733398 IUPAC Name: ethyl 2-amino-2-sulfanylideneacetate SMILES: CCOC(=O)C(=S)N
| PubChem CID | 2733398 |
|---|---|
| CAS | 16982-21-1 |
| Molecular Weight (g/mol) | 133.165 |
| MDL Number | MFCD00074903 |
| SMILES | CCOC(=O)C(=S)N |
| Synonym | ethyl 2-amino-2-thioxoacetate,ethyl carbamothioylformate,ethyl thioxamate,ethyl thiooxamidate,ethyl amino thioxo acetate,ethyl thiooxamat,ethyl aminothioxoacetate,ethyl 2-thiooxamate,acetic acid, aminothioxo-, ethyl ester,thiooxamic acid ethyl ester |
| IUPAC Name | ethyl 2-amino-2-sulfanylideneacetate |
| InChI Key | YMBMCMOZIGSBOA-UHFFFAOYSA-N |
| Molecular Formula | C4H7NO2S |
4-(Difluoromethoxy)benzaldehyde 98.0+%, TCI America™
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CAS: 73960-07-3 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD00042252 InChI Key: ZWCXOJYJJINQGU-UHFFFAOYSA-N Synonym: 4-difluoromethoxy benzaldehyde,4-difluoromethoxy-benzaldehyde,p-difluoromethoxy benzaldehyde,p-difluoromethoxybenzaldehyde,benzaldehyde, 4-difluoromethoxy,1-difluoromethoxy-4-formylbenzene,pubchem7137,acmc-1bb9r,akos bb62 PubChem CID: 2736986 IUPAC Name: 4-(difluoromethoxy)benzaldehyde SMILES: C1=CC(=CC=C1C=O)OC(F)F
| PubChem CID | 2736986 |
|---|---|
| CAS | 73960-07-3 |
| Molecular Weight (g/mol) | 172.131 |
| MDL Number | MFCD00042252 |
| SMILES | C1=CC(=CC=C1C=O)OC(F)F |
| Synonym | 4-difluoromethoxy benzaldehyde,4-difluoromethoxy-benzaldehyde,p-difluoromethoxy benzaldehyde,p-difluoromethoxybenzaldehyde,benzaldehyde, 4-difluoromethoxy,1-difluoromethoxy-4-formylbenzene,pubchem7137,acmc-1bb9r,akos bb62 |
| IUPAC Name | 4-(difluoromethoxy)benzaldehyde |
| InChI Key | ZWCXOJYJJINQGU-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O2 |
N-Carbobenzoxy-L-isoleucine Dicyclohexylammonium Salt 98.0+%, TCI America™
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CAS: 26699-00-3 Molecular Formula: C26H42N2O4 Molecular Weight (g/mol): 446.63 MDL Number: MFCD00043243 InChI Key: QWMHUFMEYKIYPC-QUTFAALHNA-N Synonym: cbz-l-isoleucine dicyclohexylamine salt,z-ile-oh dicyclohexylammonium salt,cbz-ile-oh.dcha,n-benzyloxy carbonyl-l-isoleucine, compound with dicyclohexylamine 1:1,cbz-isoleucine.dcha,cbz-ile-oh??dcha,pubchem18961,z-l-isoleucine dicyclohexylammonium salt,cbz-l-isoleucine dicyclohexylammonium salt,n-alpha-benzyloxycarbonyl-l-isoleucine dicyclohexylamine PubChem CID: 43835055 IUPAC Name: (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoic acid; N-cyclohexylcyclohexanamine SMILES: C1CCC(CC1)NC1CCCCC1.CCC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(O)=O
| PubChem CID | 43835055 |
|---|---|
| CAS | 26699-00-3 |
| Molecular Weight (g/mol) | 446.63 |
| MDL Number | MFCD00043243 |
| SMILES | C1CCC(CC1)NC1CCCCC1.CCC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(O)=O |
| Synonym | cbz-l-isoleucine dicyclohexylamine salt,z-ile-oh dicyclohexylammonium salt,cbz-ile-oh.dcha,n-benzyloxy carbonyl-l-isoleucine, compound with dicyclohexylamine 1:1,cbz-isoleucine.dcha,cbz-ile-oh??dcha,pubchem18961,z-l-isoleucine dicyclohexylammonium salt,cbz-l-isoleucine dicyclohexylammonium salt,n-alpha-benzyloxycarbonyl-l-isoleucine dicyclohexylamine |
| IUPAC Name | (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoic acid; N-cyclohexylcyclohexanamine |
| InChI Key | QWMHUFMEYKIYPC-QUTFAALHNA-N |
| Molecular Formula | C26H42N2O4 |
Decylbenzene 98.0+%, TCI America™
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CAS: 104-72-3 Molecular Formula: C16H26 Molecular Weight (g/mol): 218.38 MDL Number: MFCD00008955 InChI Key: UZILCZKGXMQEQR-UHFFFAOYSA-N Synonym: 1-phenyldecane,benzene, decyl,n-decylbenzene,decane, 1-phenyl,n-decyl benzene,unii-kir29w0bp0,kir29w0bp0,phenyldecane,hsdb 920,decane, phenyl PubChem CID: 7716 IUPAC Name: decylbenzene SMILES: CCCCCCCCCCC1=CC=CC=C1
| PubChem CID | 7716 |
|---|---|
| CAS | 104-72-3 |
| Molecular Weight (g/mol) | 218.38 |
| MDL Number | MFCD00008955 |
| SMILES | CCCCCCCCCCC1=CC=CC=C1 |
| Synonym | 1-phenyldecane,benzene, decyl,n-decylbenzene,decane, 1-phenyl,n-decyl benzene,unii-kir29w0bp0,kir29w0bp0,phenyldecane,hsdb 920,decane, phenyl |
| IUPAC Name | decylbenzene |
| InChI Key | UZILCZKGXMQEQR-UHFFFAOYSA-N |
| Molecular Formula | C16H26 |