Organic compounds
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3,3'-Methylenebis[1-(2,6-diisopropylphenyl)-3-imidazolium Bromide] 98.0+%, TCI America™
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CAS: 889617-36-1 Molecular Formula: C31H42Br2N4 Molecular Weight (g/mol): 630.513 InChI Key: ZZGWEIDPDBDPOH-UHFFFAOYSA-L PubChem CID: 78198750 IUPAC Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[[3-[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-1-yl]methyl]imidazol-3-ium;dibromide SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2)C[N+]3=CN(C=C3)C4=C(C=CC=C4C(C)C)C(C)C.[Br-].[Br-]
| PubChem CID | 78198750 |
|---|---|
| CAS | 889617-36-1 |
| Molecular Weight (g/mol) | 630.513 |
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2)C[N+]3=CN(C=C3)C4=C(C=CC=C4C(C)C)C(C)C.[Br-].[Br-] |
| IUPAC Name | 1-[2,6-di(propan-2-yl)phenyl]-3-[[3-[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-1-yl]methyl]imidazol-3-ium;dibromide |
| InChI Key | ZZGWEIDPDBDPOH-UHFFFAOYSA-L |
| Molecular Formula | C31H42Br2N4 |
Tetrathiafulvalene (purified by sublimation) 99.0+%, TCI America™
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CAS: 31366-25-3 Molecular Formula: C6H4S4 Molecular Weight (g/mol): 204.338 MDL Number: MFCD00005492 InChI Key: FHCPAXDKURNIOZ-UHFFFAOYSA-N Synonym: tetrathiafulvalene,2-1,3-dithiol-2-ylidene-1,3-dithiole,1,3-dithiole, 2-1,3-dithiol-2-ylidene,unii-hy1en16w9t,1,4,5,8-tetrathiafulvalene,ttf,delta-2:2'-bis 1,3-dithiazole,hy1en16w9t,2,2'-bi-1,3-dithiole,delta-2,2'-bi-1,3-dithiole PubChem CID: 99451 ChEBI: CHEBI:52444 IUPAC Name: 2-(1,3-dithiol-2-ylidene)-1,3-dithiole SMILES: C1=CSC(=C2SC=CS2)S1
| PubChem CID | 99451 |
|---|---|
| CAS | 31366-25-3 |
| Molecular Weight (g/mol) | 204.338 |
| ChEBI | CHEBI:52444 |
| MDL Number | MFCD00005492 |
| SMILES | C1=CSC(=C2SC=CS2)S1 |
| Synonym | tetrathiafulvalene,2-1,3-dithiol-2-ylidene-1,3-dithiole,1,3-dithiole, 2-1,3-dithiol-2-ylidene,unii-hy1en16w9t,1,4,5,8-tetrathiafulvalene,ttf,delta-2:2'-bis 1,3-dithiazole,hy1en16w9t,2,2'-bi-1,3-dithiole,delta-2,2'-bi-1,3-dithiole |
| IUPAC Name | 2-(1,3-dithiol-2-ylidene)-1,3-dithiole |
| InChI Key | FHCPAXDKURNIOZ-UHFFFAOYSA-N |
| Molecular Formula | C6H4S4 |
Ethyl (R)-4-Phenyl-2-(trifluoromethanesulfonyloxy)butyrate 97.0+%, TCI America™
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CAS: 88767-98-0 Molecular Formula: C13H15F3O5S Molecular Weight (g/mol): 340.313 MDL Number: MFCD09751096 InChI Key: UDJNHUAEPSYCRU-LLVKDONJSA-N Synonym: (R)-4-Phenyl-2-(trifluoromethanesulfonyloxy)butyric Acid Ethyl Ester PubChem CID: 10860745 IUPAC Name: ethyl (2R)-4-phenyl-2-(trifluoromethylsulfonyloxy)butanoate SMILES: CCOC(=O)C(CCC1=CC=CC=C1)OS(=O)(=O)C(F)(F)F
| PubChem CID | 10860745 |
|---|---|
| CAS | 88767-98-0 |
| Molecular Weight (g/mol) | 340.313 |
| MDL Number | MFCD09751096 |
| SMILES | CCOC(=O)C(CCC1=CC=CC=C1)OS(=O)(=O)C(F)(F)F |
| Synonym | (R)-4-Phenyl-2-(trifluoromethanesulfonyloxy)butyric Acid Ethyl Ester |
| IUPAC Name | ethyl (2R)-4-phenyl-2-(trifluoromethylsulfonyloxy)butanoate |
| InChI Key | UDJNHUAEPSYCRU-LLVKDONJSA-N |
| Molecular Formula | C13H15F3O5S |
(+)-2,2'-Methylenebis[(3aR,8aS)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole] 98.0+%, TCI America™
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CAS: 180186-94-1 Molecular Formula: C21H18N2O2 Molecular Weight (g/mol): 330.39 MDL Number: MFCD06797115 InChI Key: BDHSVQLSNIGJNC-UHFFFAOYNA-N PubChem CID: 1268099 IUPAC Name: 2-({3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-2-yl}methyl)-3aH,8H,8aH-indeno[1,2-d][1,3]oxazole SMILES: C(C1=NC2C(CC3=CC=CC=C23)O1)C1=NC2C(CC3=CC=CC=C23)O1
| PubChem CID | 1268099 |
|---|---|
| CAS | 180186-94-1 |
| Molecular Weight (g/mol) | 330.39 |
| MDL Number | MFCD06797115 |
| SMILES | C(C1=NC2C(CC3=CC=CC=C23)O1)C1=NC2C(CC3=CC=CC=C23)O1 |
| IUPAC Name | 2-({3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-2-yl}methyl)-3aH,8H,8aH-indeno[1,2-d][1,3]oxazole |
| InChI Key | BDHSVQLSNIGJNC-UHFFFAOYNA-N |
| Molecular Formula | C21H18N2O2 |
1,4-Di(2-thienyl)-1,4-butanedione 95.0+%, TCI America™
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CAS: 13669-05-1 Molecular Formula: C12H10O2S2 Molecular Weight (g/mol): 250.33 MDL Number: MFCD00208362 InChI Key: QJGKCQWQNOPAMG-UHFFFAOYSA-N PubChem CID: 151814 IUPAC Name: 1,4-bis(thiophen-2-yl)butane-1,4-dione SMILES: O=C(CCC(=O)C1=CC=CS1)C1=CC=CS1
| PubChem CID | 151814 |
|---|---|
| CAS | 13669-05-1 |
| Molecular Weight (g/mol) | 250.33 |
| MDL Number | MFCD00208362 |
| SMILES | O=C(CCC(=O)C1=CC=CS1)C1=CC=CS1 |
| IUPAC Name | 1,4-bis(thiophen-2-yl)butane-1,4-dione |
| InChI Key | QJGKCQWQNOPAMG-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2S2 |
4-Benzyloxyphenylacetic Acid 98.0+%, TCI America™
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CAS: 6547-53-1 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.274 MDL Number: MFCD00017540 InChI Key: XJHGAJLIKDAOPE-UHFFFAOYSA-N Synonym: 4-benzyloxyphenylacetic acid,2-4-benzyloxy phenyl acetic acid,4-benzyloxy phenyl acetic acid,4-benzyloxyphenyl acetic acid,benzeneacetic acid, 4-phenylmethoxy,4-benzyloxy phenylacetic acid,4-benzyloxy-phenyl-acetic acid,2-4-phenylmethoxyphenyl acetic acid,2-4-phenylmethoxy phenyl acetic acid PubChem CID: 81033 IUPAC Name: 2-(4-phenylmethoxyphenyl)acetic acid SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(=O)O
| PubChem CID | 81033 |
|---|---|
| CAS | 6547-53-1 |
| Molecular Weight (g/mol) | 242.274 |
| MDL Number | MFCD00017540 |
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(=O)O |
| Synonym | 4-benzyloxyphenylacetic acid,2-4-benzyloxy phenyl acetic acid,4-benzyloxy phenyl acetic acid,4-benzyloxyphenyl acetic acid,benzeneacetic acid, 4-phenylmethoxy,4-benzyloxy phenylacetic acid,4-benzyloxy-phenyl-acetic acid,2-4-phenylmethoxyphenyl acetic acid,2-4-phenylmethoxy phenyl acetic acid |
| IUPAC Name | 2-(4-phenylmethoxyphenyl)acetic acid |
| InChI Key | XJHGAJLIKDAOPE-UHFFFAOYSA-N |
| Molecular Formula | C15H14O3 |
2-Amino-5-methyl-1,3,4-thiadiazole 98.0+%, TCI America™
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CAS: 108-33-8 Molecular Formula: C3H5N3S Molecular Weight (g/mol): 115.15 MDL Number: MFCD00003110 InChI Key: HMPUHXCGUHDVBI-UHFFFAOYSA-N Synonym: 2-amino-5-methyl-1,3,4-thiadiazole,2-amino-5-methylthiadiazole,matd,usaf cy-3,1,3,4-thiadiazol-2-amine, 5-methyl,5-methyl-1,3,4 thiadiazol-2-ylamine,1,3,4-thiadiazole, 2-amino-5-methyl,5-methyl-1,3,4-thiadiazole-2-amine,5-methyl-1,3,4-thiadiazol-2-ylamine,1,4-thiadiazol-2-amine, 5-methyl PubChem CID: 66949 IUPAC Name: 5-methyl-1,3,4-thiadiazol-2-amine SMILES: CC1=NN=C(N)S1
| PubChem CID | 66949 |
|---|---|
| CAS | 108-33-8 |
| Molecular Weight (g/mol) | 115.15 |
| MDL Number | MFCD00003110 |
| SMILES | CC1=NN=C(N)S1 |
| Synonym | 2-amino-5-methyl-1,3,4-thiadiazole,2-amino-5-methylthiadiazole,matd,usaf cy-3,1,3,4-thiadiazol-2-amine, 5-methyl,5-methyl-1,3,4 thiadiazol-2-ylamine,1,3,4-thiadiazole, 2-amino-5-methyl,5-methyl-1,3,4-thiadiazole-2-amine,5-methyl-1,3,4-thiadiazol-2-ylamine,1,4-thiadiazol-2-amine, 5-methyl |
| IUPAC Name | 5-methyl-1,3,4-thiadiazol-2-amine |
| InChI Key | HMPUHXCGUHDVBI-UHFFFAOYSA-N |
| Molecular Formula | C3H5N3S |
Dodecaethylene Glycol 90.0+%, TCI America™
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CAS: 6790-09-6 Molecular Formula: C24H50O13 Molecular Weight (g/mol): 546.65 MDL Number: MFCD06201001 InChI Key: WRZXKWFJEFFURH-UHFFFAOYSA-N PubChem CID: 81248 ChEBI: CHEBI:39524 IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol SMILES: C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
| PubChem CID | 81248 |
|---|---|
| CAS | 6790-09-6 |
| Molecular Weight (g/mol) | 546.65 |
| ChEBI | CHEBI:39524 |
| MDL Number | MFCD06201001 |
| SMILES | C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O |
| IUPAC Name | 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
| InChI Key | WRZXKWFJEFFURH-UHFFFAOYSA-N |
| Molecular Formula | C24H50O13 |
N,N-Bis(4-bromophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline 98.0+%, TCI America™
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CAS: 850153-24-1 Molecular Formula: C24H24BBr2NO2 Molecular Weight (g/mol): 529.079 InChI Key: XVOQIMZHMJQJEC-UHFFFAOYSA-N Synonym: 2-[4-[Bis(4-bromophenyl)amino]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 4-[Bis(4-bromophenyl)amino]phenylboronic Acid Pinacol Ester PubChem CID: 89535548 IUPAC Name: N,N-bis(4-bromophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br
| PubChem CID | 89535548 |
|---|---|
| CAS | 850153-24-1 |
| Molecular Weight (g/mol) | 529.079 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br |
| Synonym | 2-[4-[Bis(4-bromophenyl)amino]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 4-[Bis(4-bromophenyl)amino]phenylboronic Acid Pinacol Ester |
| IUPAC Name | N,N-bis(4-bromophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| InChI Key | XVOQIMZHMJQJEC-UHFFFAOYSA-N |
| Molecular Formula | C24H24BBr2NO2 |
Methyl 3-[(2-Methoxy-2-oxoethyl)thio]propionate 98.0+%, TCI America™
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CAS: 7400-45-5 Molecular Formula: C7H12O4S Molecular Weight (g/mol): 192.229 MDL Number: MFCD00043633 InChI Key: XNDKLLFGXIEGKL-UHFFFAOYSA-N Synonym: dimethyl 3-thiaadipate,methyl 3-2-methoxy-2-oxoethyl thio propionate,methyl 3-2-methoxy-2-oxoethyl sulfanyl propanoate,methyl 3-methoxycarbonylmethylthio propionate,methyl 3-2-methoxy-2-oxoethyl thio propanoate,propanoic acid, 3-2-methoxy-2-oxoethyl thio-, methyl ester,propanoic acid, 3-carbomethoxymethylthio-, methyl ester,methyl 3-methoxycarbonyl methylthio propanoate,methyl 3-methoxycarbonyl methylthio propionate,3-2-methoxy-2-oxoethyl thio propionic acid methyl ester PubChem CID: 81891 IUPAC Name: methyl 3-(2-methoxy-2-oxoethyl)sulfanylpropanoate SMILES: COC(=O)CCSCC(=O)OC
| PubChem CID | 81891 |
|---|---|
| CAS | 7400-45-5 |
| Molecular Weight (g/mol) | 192.229 |
| MDL Number | MFCD00043633 |
| SMILES | COC(=O)CCSCC(=O)OC |
| Synonym | dimethyl 3-thiaadipate,methyl 3-2-methoxy-2-oxoethyl thio propionate,methyl 3-2-methoxy-2-oxoethyl sulfanyl propanoate,methyl 3-methoxycarbonylmethylthio propionate,methyl 3-2-methoxy-2-oxoethyl thio propanoate,propanoic acid, 3-2-methoxy-2-oxoethyl thio-, methyl ester,propanoic acid, 3-carbomethoxymethylthio-, methyl ester,methyl 3-methoxycarbonyl methylthio propanoate,methyl 3-methoxycarbonyl methylthio propionate,3-2-methoxy-2-oxoethyl thio propionic acid methyl ester |
| IUPAC Name | methyl 3-(2-methoxy-2-oxoethyl)sulfanylpropanoate |
| InChI Key | XNDKLLFGXIEGKL-UHFFFAOYSA-N |
| Molecular Formula | C7H12O4S |
4-Isopropoxybenzoic Acid 98.0+%, TCI America™
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CAS: 13205-46-4 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00044318 InChI Key: ZVERWTXKKWSSHH-UHFFFAOYSA-N PubChem CID: 72972 IUPAC Name: 4-propan-2-yloxybenzoic acid SMILES: CC(C)OC1=CC=C(C=C1)C(=O)O
| PubChem CID | 72972 |
|---|---|
| CAS | 13205-46-4 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00044318 |
| SMILES | CC(C)OC1=CC=C(C=C1)C(=O)O |
| IUPAC Name | 4-propan-2-yloxybenzoic acid |
| InChI Key | ZVERWTXKKWSSHH-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Tryptamine Hydrochloride 98.0+%, TCI America™
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CAS: 343-94-2 Molecular Formula: C10H13ClN2 Molecular Weight (g/mol): 196.678 MDL Number: MFCD00012682 InChI Key: KDFBGNBTTMPNIG-UHFFFAOYSA-N Synonym: tryptamine hydrochloride,3-2-aminoethyl indole hydrochloride,2-1h-indol-3-yl ethanamine hydrochloride,1h-indole-3-ethanamine, monohydrochloride,tryptamine monohydrochloride,tryptaminehydrochloride,ccris 4419,indole-3-ethylamine hydrochloride,3-2-aminoethyl-1h-indole monohydrochloride,beta-indole-ethylamine hydrochloride PubChem CID: 67652 IUPAC Name: 2-(1H-indol-3-yl)ethanamine;hydrochloride SMILES: C1=CC=C2C(=C1)C(=CN2)CCN.Cl
| PubChem CID | 67652 |
|---|---|
| CAS | 343-94-2 |
| Molecular Weight (g/mol) | 196.678 |
| MDL Number | MFCD00012682 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCN.Cl |
| Synonym | tryptamine hydrochloride,3-2-aminoethyl indole hydrochloride,2-1h-indol-3-yl ethanamine hydrochloride,1h-indole-3-ethanamine, monohydrochloride,tryptamine monohydrochloride,tryptaminehydrochloride,ccris 4419,indole-3-ethylamine hydrochloride,3-2-aminoethyl-1h-indole monohydrochloride,beta-indole-ethylamine hydrochloride |
| IUPAC Name | 2-(1H-indol-3-yl)ethanamine;hydrochloride |
| InChI Key | KDFBGNBTTMPNIG-UHFFFAOYSA-N |
| Molecular Formula | C10H13ClN2 |
N-Ethyl-1-naphthylamine Hydrobromide 98.0+%, TCI America™
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CAS: 36966-04-8 Molecular Formula: C12H14BrN Molecular Weight (g/mol): 252.16 MDL Number: MFCD00060154 InChI Key: SBGSNWFFTCHTQG-UHFFFAOYSA-N PubChem CID: 44148659 IUPAC Name: N-ethylnaphthalen-1-aminium bromide SMILES: [Br-].CC[NH2+]C1=C2C=CC=CC2=CC=C1
| PubChem CID | 44148659 |
|---|---|
| CAS | 36966-04-8 |
| Molecular Weight (g/mol) | 252.16 |
| MDL Number | MFCD00060154 |
| SMILES | [Br-].CC[NH2+]C1=C2C=CC=CC2=CC=C1 |
| IUPAC Name | N-ethylnaphthalen-1-aminium bromide |
| InChI Key | SBGSNWFFTCHTQG-UHFFFAOYSA-N |
| Molecular Formula | C12H14BrN |
3-(Chloromethyl)-3-methyloxetane 98.0+%, TCI America™
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CAS: 822-48-0 Molecular Formula: C5H9ClO Molecular Weight (g/mol): 120.58 MDL Number: MFCD01709552 InChI Key: MCZYEFODKAZWIH-UHFFFAOYSA-N Synonym: 2-(Chloromethyl)-2-methyl-1,3-epoxypropane PubChem CID: 79112 IUPAC Name: 3-(chloromethyl)-3-methyloxetane SMILES: CC1(CCl)COC1
| PubChem CID | 79112 |
|---|---|
| CAS | 822-48-0 |
| Molecular Weight (g/mol) | 120.58 |
| MDL Number | MFCD01709552 |
| SMILES | CC1(CCl)COC1 |
| Synonym | 2-(Chloromethyl)-2-methyl-1,3-epoxypropane |
| IUPAC Name | 3-(chloromethyl)-3-methyloxetane |
| InChI Key | MCZYEFODKAZWIH-UHFFFAOYSA-N |
| Molecular Formula | C5H9ClO |
N-(Hydroxymethyl)nicotinamide 97.0+%, TCI America™
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CAS: 3569-99-1 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00010437 InChI Key: JRFKIOFLCXKVOT-UHFFFAOYSA-N PubChem CID: 77116 IUPAC Name: N-(hydroxymethyl)pyridine-3-carboxamide SMILES: C1=CC(=CN=C1)C(=O)NCO
| PubChem CID | 77116 |
|---|---|
| CAS | 3569-99-1 |
| Molecular Weight (g/mol) | 152.153 |
| MDL Number | MFCD00010437 |
| SMILES | C1=CC(=CN=C1)C(=O)NCO |
| IUPAC Name | N-(hydroxymethyl)pyridine-3-carboxamide |
| InChI Key | JRFKIOFLCXKVOT-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |