Benzenoids
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3-(Methylthio)benzoic Acid 98.0+%, TCI America™
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CAS: 825-99-0 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00156993 InChI Key: PZGADOOBMVLBJE-UHFFFAOYSA-N Synonym: 3-methylthio benzoic acid,3-methylsulfanyl benzoic acid,benzoic acid, 3-methylthio,benzoic acid, m-methylthio,3-mercaptobenzoic acid s-methyl ether,3-methylsulfanyl-benzoic acid,3-carboxythioanisole,pubchem10679 PubChem CID: 220329 IUPAC Name: 3-methylsulfanylbenzoic acid SMILES: CSC1=CC=CC(=C1)C(=O)O
| PubChem CID | 220329 |
|---|---|
| CAS | 825-99-0 |
| Molecular Weight (g/mol) | 168.21 |
| MDL Number | MFCD00156993 |
| SMILES | CSC1=CC=CC(=C1)C(=O)O |
| Synonym | 3-methylthio benzoic acid,3-methylsulfanyl benzoic acid,benzoic acid, 3-methylthio,benzoic acid, m-methylthio,3-mercaptobenzoic acid s-methyl ether,3-methylsulfanyl-benzoic acid,3-carboxythioanisole,pubchem10679 |
| IUPAC Name | 3-methylsulfanylbenzoic acid |
| InChI Key | PZGADOOBMVLBJE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2S |
2,3,5,6-Tetrafluoro-4-mercaptobenzoic Acid 98.0+%, TCI America™
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CAS: 5211-44-9 Molecular Formula: C7H2F4O2S Molecular Weight (g/mol): 226.14 MDL Number: MFCD00129954 InChI Key: USFMEWZQIHKRDP-UHFFFAOYSA-N PubChem CID: 297543 IUPAC Name: 2,3,5,6-tetrafluoro-4-sulfanylbenzoic acid SMILES: OC(=O)C1=C(F)C(F)=C(S)C(F)=C1F
| PubChem CID | 297543 |
|---|---|
| CAS | 5211-44-9 |
| Molecular Weight (g/mol) | 226.14 |
| MDL Number | MFCD00129954 |
| SMILES | OC(=O)C1=C(F)C(F)=C(S)C(F)=C1F |
| IUPAC Name | 2,3,5,6-tetrafluoro-4-sulfanylbenzoic acid |
| InChI Key | USFMEWZQIHKRDP-UHFFFAOYSA-N |
| Molecular Formula | C7H2F4O2S |
2-Ethyliodobenzene 97.0+%, TCI America™
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CAS: 18282-40-1 Molecular Formula: C8H9I Molecular Weight (g/mol): 232.064 MDL Number: MFCD00040871 InChI Key: ZEJZDNMOGNUIHL-UHFFFAOYSA-N Synonym: 2-ethyliodobenzene,1-iodo-2-ethylbenzene,benzene, 1-ethyl-2-iodo,2-ethyl iodobenzene,pubchem3876,1-ethyl-2-iodo-benzene,acmc-1brg2,#,benzene,1-ethyl-2-iodo,attercop-chm at134049 PubChem CID: 140367 IUPAC Name: 1-ethyl-2-iodobenzene SMILES: CCC1=CC=CC=C1I
| PubChem CID | 140367 |
|---|---|
| CAS | 18282-40-1 |
| Molecular Weight (g/mol) | 232.064 |
| MDL Number | MFCD00040871 |
| SMILES | CCC1=CC=CC=C1I |
| Synonym | 2-ethyliodobenzene,1-iodo-2-ethylbenzene,benzene, 1-ethyl-2-iodo,2-ethyl iodobenzene,pubchem3876,1-ethyl-2-iodo-benzene,acmc-1brg2,#,benzene,1-ethyl-2-iodo,attercop-chm at134049 |
| IUPAC Name | 1-ethyl-2-iodobenzene |
| InChI Key | ZEJZDNMOGNUIHL-UHFFFAOYSA-N |
| Molecular Formula | C8H9I |
4-Bromo-3,5-dimethylphenol 98.0+%, TCI America™
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CAS: 7463-51-6 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.063 MDL Number: MFCD00002315 InChI Key: WMUWDPLTTLJNPE-UHFFFAOYSA-N Synonym: 4-bromo-3,5-xylenol,4-bromo-3,5-dimethyl phenol,phenol, 4-bromo-3,5-dimethyl,3,5-dimethyl-4-bromophenol,4-bromo-3,5-dimethyl-phenol,zlchem 241,pubchem3767,acmc-209ovl,3,5-xylenol, 4-bromo,akos bbb/606 PubChem CID: 81970 IUPAC Name: 4-bromo-3,5-dimethylphenol SMILES: CC1=CC(=CC(=C1Br)C)O
| PubChem CID | 81970 |
|---|---|
| CAS | 7463-51-6 |
| Molecular Weight (g/mol) | 201.063 |
| MDL Number | MFCD00002315 |
| SMILES | CC1=CC(=CC(=C1Br)C)O |
| Synonym | 4-bromo-3,5-xylenol,4-bromo-3,5-dimethyl phenol,phenol, 4-bromo-3,5-dimethyl,3,5-dimethyl-4-bromophenol,4-bromo-3,5-dimethyl-phenol,zlchem 241,pubchem3767,acmc-209ovl,3,5-xylenol, 4-bromo,akos bbb/606 |
| IUPAC Name | 4-bromo-3,5-dimethylphenol |
| InChI Key | WMUWDPLTTLJNPE-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO |
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-threonine Monohydrate 98.0+%, TCI America™
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CAS: 73731-37-0 Molecular Formula: C19H21NO6 Molecular Weight (g/mol): 359.38 MDL Number: MFCD00792901 InChI Key: CGNQPFAECJFQNV-NRNQBQMASA-N Synonym: fmoc-thr-oh,fmoc-l-threonine,fmoc-l-thr-oh,2-9h-fluoren-9-ylmethoxycarbonylamino-3-hydroxy-butanoic acid,n-9h-fluoren-9-ylmethoxy carbonyl-l-threonine,2s,3r-2-9h-fluoren-9-yl methoxy carbonyl amino-3-hydroxybutanoic acid,n-9-fluorenylmethoxycarbonyl-l-threonine,2s,3r-2-9h-fluoren-9-ylmethoxy carbonyl amino-3-hydroxybutanoic acid,fmoc-thr-oh monohydrate,n-9h-fluoren-9-ylmethoxy carbonyl-l-threonine monohydrate PubChem CID: 6992530 IUPAC Name: (2S,3R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-hydroxybutanoic acid hydrate SMILES: O.C[C@@H](O)[C@H](NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(O)=O
| PubChem CID | 6992530 |
|---|---|
| CAS | 73731-37-0 |
| Molecular Weight (g/mol) | 359.38 |
| MDL Number | MFCD00792901 |
| SMILES | O.C[C@@H](O)[C@H](NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(O)=O |
| Synonym | fmoc-thr-oh,fmoc-l-threonine,fmoc-l-thr-oh,2-9h-fluoren-9-ylmethoxycarbonylamino-3-hydroxy-butanoic acid,n-9h-fluoren-9-ylmethoxy carbonyl-l-threonine,2s,3r-2-9h-fluoren-9-yl methoxy carbonyl amino-3-hydroxybutanoic acid,n-9-fluorenylmethoxycarbonyl-l-threonine,2s,3r-2-9h-fluoren-9-ylmethoxy carbonyl amino-3-hydroxybutanoic acid,fmoc-thr-oh monohydrate,n-9h-fluoren-9-ylmethoxy carbonyl-l-threonine monohydrate |
| IUPAC Name | (2S,3R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-hydroxybutanoic acid hydrate |
| InChI Key | CGNQPFAECJFQNV-NRNQBQMASA-N |
| Molecular Formula | C19H21NO6 |
1-Bromo-2-chloro-4-fluorobenzene 98.0+%, TCI America™
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CAS: 110407-59-5 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.442 MDL Number: MFCD00142587 InChI Key: LEFQPBAWVJEIJS-UHFFFAOYSA-N Synonym: 2-chloro-4-fluorobromobenzene,4-bromo-3-chloro-1-fluorobenzene,1-bromo-2-chloro-4-fluoro-benzene,4-bromo-3-chlorofluorobenzene,2-bromo-5-fluorochlorobenzene,benzene, 1-bromo-2-chloro-4-fluoro,pubchem3755,acmc-1bnv0,2-chloro-4-fluorobromobezene,ksc494m7f PubChem CID: 2733406 IUPAC Name: 1-bromo-2-chloro-4-fluorobenzene SMILES: C1=CC(=C(C=C1F)Cl)Br
| PubChem CID | 2733406 |
|---|---|
| CAS | 110407-59-5 |
| Molecular Weight (g/mol) | 209.442 |
| MDL Number | MFCD00142587 |
| SMILES | C1=CC(=C(C=C1F)Cl)Br |
| Synonym | 2-chloro-4-fluorobromobenzene,4-bromo-3-chloro-1-fluorobenzene,1-bromo-2-chloro-4-fluoro-benzene,4-bromo-3-chlorofluorobenzene,2-bromo-5-fluorochlorobenzene,benzene, 1-bromo-2-chloro-4-fluoro,pubchem3755,acmc-1bnv0,2-chloro-4-fluorobromobezene,ksc494m7f |
| IUPAC Name | 1-bromo-2-chloro-4-fluorobenzene |
| InChI Key | LEFQPBAWVJEIJS-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClF |
Methyl 3-Bromo-4-fluorobenzoate 98.0+%, TCI America™
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CAS: 82702-31-6 Molecular Formula: C8H6BrFO2 Molecular Weight (g/mol): 233.04 MDL Number: MFCD04972915 InChI Key: JVORYGNKYAXATM-UHFFFAOYSA-N Synonym: 3-Bromo-4-fluorobenzoic Acid Methyl Ester PubChem CID: 7018022 IUPAC Name: methyl 3-bromo-4-fluorobenzoate SMILES: COC(=O)C1=CC=C(F)C(Br)=C1
| PubChem CID | 7018022 |
|---|---|
| CAS | 82702-31-6 |
| Molecular Weight (g/mol) | 233.04 |
| MDL Number | MFCD04972915 |
| SMILES | COC(=O)C1=CC=C(F)C(Br)=C1 |
| Synonym | 3-Bromo-4-fluorobenzoic Acid Methyl Ester |
| IUPAC Name | methyl 3-bromo-4-fluorobenzoate |
| InChI Key | JVORYGNKYAXATM-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO2 |
3-Methyl-N-methylbenzylamine 97.0+%, TCI America™
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CAS: 39180-84-2 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD05865181 InChI Key: WCTNVGNEUDTSOZ-UHFFFAOYSA-N Synonym: 3-methyl-n-methylbenzylamine,n-methyl-1-m-tolyl methanamine,3-methylbenzyl methylamine,methyl 3-methylphenyl methyl amine,benzenemethanamine, n,3-dimethyl,acmc-20a7fx,n,3-dimethylbenzylamine,methyl 3-methylbenzyl amine,n-methyl-3-methylbenzylamine,ksc493m5b PubChem CID: 13794465 IUPAC Name: N-methyl-1-(3-methylphenyl)methanamine SMILES: CC1=CC(=CC=C1)CNC
| PubChem CID | 13794465 |
|---|---|
| CAS | 39180-84-2 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD05865181 |
| SMILES | CC1=CC(=CC=C1)CNC |
| Synonym | 3-methyl-n-methylbenzylamine,n-methyl-1-m-tolyl methanamine,3-methylbenzyl methylamine,methyl 3-methylphenyl methyl amine,benzenemethanamine, n,3-dimethyl,acmc-20a7fx,n,3-dimethylbenzylamine,methyl 3-methylbenzyl amine,n-methyl-3-methylbenzylamine,ksc493m5b |
| IUPAC Name | N-methyl-1-(3-methylphenyl)methanamine |
| InChI Key | WCTNVGNEUDTSOZ-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
(4S)-(-)-4-Isopropyl-5,5-diphenyl-2-oxazolidinone 98.0+%, TCI America™
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CAS: 184346-45-0 Molecular Formula: C18H19NO2 Molecular Weight (g/mol): 281.355 MDL Number: MFCD03093556 InChI Key: PHTOJBANGYSTOH-INIZCTEOSA-N PubChem CID: 9838646 IUPAC Name: (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one SMILES: CC(C)C1C(OC(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3
| PubChem CID | 9838646 |
|---|---|
| CAS | 184346-45-0 |
| Molecular Weight (g/mol) | 281.355 |
| MDL Number | MFCD03093556 |
| SMILES | CC(C)C1C(OC(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3 |
| IUPAC Name | (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one |
| InChI Key | PHTOJBANGYSTOH-INIZCTEOSA-N |
| Molecular Formula | C18H19NO2 |
3-Iodophenylacetic Acid 98.0+%, TCI America™
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CAS: 1878-69-9 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.05 MDL Number: MFCD00046548 InChI Key: MRSWWBAFGGGWRH-UHFFFAOYSA-N Synonym: 3-iodophenylacetic acid,2-3-iodophenyl acetic acid,3-iodophenyl acetic acid,m-iodophenylacetic acid,m-iodobenzeneacetic acid,benzeneacetic acid, 3-iodo,pubchem4195,3-iodophenylaceticacid,acmc-1cfam,3-iodobenzeneacetic acid PubChem CID: 3870220 IUPAC Name: 2-(3-iodophenyl)acetic acid SMILES: OC(=O)CC1=CC(I)=CC=C1
| PubChem CID | 3870220 |
|---|---|
| CAS | 1878-69-9 |
| Molecular Weight (g/mol) | 262.05 |
| MDL Number | MFCD00046548 |
| SMILES | OC(=O)CC1=CC(I)=CC=C1 |
| Synonym | 3-iodophenylacetic acid,2-3-iodophenyl acetic acid,3-iodophenyl acetic acid,m-iodophenylacetic acid,m-iodobenzeneacetic acid,benzeneacetic acid, 3-iodo,pubchem4195,3-iodophenylaceticacid,acmc-1cfam,3-iodobenzeneacetic acid |
| IUPAC Name | 2-(3-iodophenyl)acetic acid |
| InChI Key | MRSWWBAFGGGWRH-UHFFFAOYSA-N |
| Molecular Formula | C8H7IO2 |
Tilorone Dihydrochloride 98.0+%, TCI America™
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CAS: 27591-69-1 Molecular Formula: C25H36Cl2N2O3 Molecular Weight (g/mol): 483.47 MDL Number: MFCD00134071 InChI Key: BSVYJQAWONIOOU-UHFFFAOYSA-N Synonym: 2,7-Bis[2-(diethylamino)ethoxy]-9-fluorenone Dihydrochloride PubChem CID: 33958 IUPAC Name: dihydrogen 2,7-bis[2-(diethylamino)ethoxy]-9H-fluoren-9-one dichloride SMILES: [H+].[H+].[Cl-].[Cl-].CCN(CC)CCOC1=CC=C2C3=CC=C(OCCN(CC)CC)C=C3C(=O)C2=C1
| PubChem CID | 33958 |
|---|---|
| CAS | 27591-69-1 |
| Molecular Weight (g/mol) | 483.47 |
| MDL Number | MFCD00134071 |
| SMILES | [H+].[H+].[Cl-].[Cl-].CCN(CC)CCOC1=CC=C2C3=CC=C(OCCN(CC)CC)C=C3C(=O)C2=C1 |
| Synonym | 2,7-Bis[2-(diethylamino)ethoxy]-9-fluorenone Dihydrochloride |
| IUPAC Name | dihydrogen 2,7-bis[2-(diethylamino)ethoxy]-9H-fluoren-9-one dichloride |
| InChI Key | BSVYJQAWONIOOU-UHFFFAOYSA-N |
| Molecular Formula | C25H36Cl2N2O3 |
2,3,4-Trimethoxybenzaldehyde 98.0+%, TCI America™
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CAS: 2103-57-3 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 MDL Number: MFCD00003310 InChI Key: UCTUXUGXIFRVGX-UHFFFAOYSA-N Synonym: trimethoxybenzaldehyde,benzaldehyde, 2,3,4-trimethoxy,2,3,4-trimethoxy-benzaldehyde,benzaldehyde, trimethoxy,2,3,4 trimethoxybenzylaldehyde,pubchem8261,trimethoxy benzaldehyde,trimetazidine impurity c,acmc-1b07v,ksc201q5r PubChem CID: 75006 IUPAC Name: 2,3,4-trimethoxybenzaldehyde SMILES: COC1=C(C(=C(C=C1)C=O)OC)OC
| PubChem CID | 75006 |
|---|---|
| CAS | 2103-57-3 |
| Molecular Weight (g/mol) | 196.202 |
| MDL Number | MFCD00003310 |
| SMILES | COC1=C(C(=C(C=C1)C=O)OC)OC |
| Synonym | trimethoxybenzaldehyde,benzaldehyde, 2,3,4-trimethoxy,2,3,4-trimethoxy-benzaldehyde,benzaldehyde, trimethoxy,2,3,4 trimethoxybenzylaldehyde,pubchem8261,trimethoxy benzaldehyde,trimetazidine impurity c,acmc-1b07v,ksc201q5r |
| IUPAC Name | 2,3,4-trimethoxybenzaldehyde |
| InChI Key | UCTUXUGXIFRVGX-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |
1-(m-Tolyl)piperazine 95.0+%, TCI America™
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CAS: 41186-03-2 Molecular Formula: C11H16N2 Molecular Weight (g/mol): 176.263 InChI Key: JIWHIRLNKIUYSM-UHFFFAOYSA-N Synonym: 1-3-methylphenyl piperazine,1-m-tolyl piperazine,1-m-tolylpiperazine,1-3-methylphenyl-piperazine,1-m-tolyl-piperazine,piperazine, 1-3-methylphenyl,3-methylphenyl piperazine,4-m-tolylpiperazine,1-m-tolyl-piperzine,4-m-tolyl-piperazine PubChem CID: 83111 IUPAC Name: 1-(3-methylphenyl)piperazine SMILES: CC1=CC(=CC=C1)N2CCNCC2
| PubChem CID | 83111 |
|---|---|
| CAS | 41186-03-2 |
| Molecular Weight (g/mol) | 176.263 |
| SMILES | CC1=CC(=CC=C1)N2CCNCC2 |
| Synonym | 1-3-methylphenyl piperazine,1-m-tolyl piperazine,1-m-tolylpiperazine,1-3-methylphenyl-piperazine,1-m-tolyl-piperazine,piperazine, 1-3-methylphenyl,3-methylphenyl piperazine,4-m-tolylpiperazine,1-m-tolyl-piperzine,4-m-tolyl-piperazine |
| IUPAC Name | 1-(3-methylphenyl)piperazine |
| InChI Key | JIWHIRLNKIUYSM-UHFFFAOYSA-N |
| Molecular Formula | C11H16N2 |
4-Mercaptobenzoic Acid 95.0+%, TCI America™
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CAS: 1074-36-8 Molecular Formula: C7H6O2S Molecular Weight (g/mol): 154.18 MDL Number: MFCD00016617 InChI Key: LMJXSOYPAOSIPZ-UHFFFAOYSA-N Synonym: 4-mercaptobenzoic acid,4-mercaptobenzoate,benzoic acid, 4-mercapto,4-mercapto-benzoic acid,4-mercapto benzoic acid,4-thiobenzoic acid,p-mercaptobenzoic acid,benzoic acid, p-mercapto,para-mercaptobenzoate,paracarboxythiophenol PubChem CID: 95738 IUPAC Name: 4-sulfanylbenzoic acid SMILES: OC(=O)C1=CC=C(S)C=C1
| PubChem CID | 95738 |
|---|---|
| CAS | 1074-36-8 |
| Molecular Weight (g/mol) | 154.18 |
| MDL Number | MFCD00016617 |
| SMILES | OC(=O)C1=CC=C(S)C=C1 |
| Synonym | 4-mercaptobenzoic acid,4-mercaptobenzoate,benzoic acid, 4-mercapto,4-mercapto-benzoic acid,4-mercapto benzoic acid,4-thiobenzoic acid,p-mercaptobenzoic acid,benzoic acid, p-mercapto,para-mercaptobenzoate,paracarboxythiophenol |
| IUPAC Name | 4-sulfanylbenzoic acid |
| InChI Key | LMJXSOYPAOSIPZ-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2S |
4-(Trifluoromethylthio)benzoic Acid 97.0+%, TCI America™
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CAS: 330-17-6 Molecular Formula: C8H5F3O2S Molecular Weight (g/mol): 222.181 MDL Number: MFCD00040906 InChI Key: UMOGQQWVQUQTQA-UHFFFAOYSA-N Synonym: 4-trifluoromethylthio benzoic acid,4-trifluoromethyl sulfanyl benzoic acid,4-trifluoromethyl thio benzoic acid,4-trifluoromethylsulfanyl-benzoic acid,4-trifluoromethylsulfanyl benzoic acid,4-trifluoromethyl-mercapto-benzoic acid,pubchem13674,acmc-209hxv,4-trifluoromethylthiobenzoic acid PubChem CID: 2777858 IUPAC Name: 4-(trifluoromethylsulfanyl)benzoic acid SMILES: C1=CC(=CC=C1C(=O)O)SC(F)(F)F
| PubChem CID | 2777858 |
|---|---|
| CAS | 330-17-6 |
| Molecular Weight (g/mol) | 222.181 |
| MDL Number | MFCD00040906 |
| SMILES | C1=CC(=CC=C1C(=O)O)SC(F)(F)F |
| Synonym | 4-trifluoromethylthio benzoic acid,4-trifluoromethyl sulfanyl benzoic acid,4-trifluoromethyl thio benzoic acid,4-trifluoromethylsulfanyl-benzoic acid,4-trifluoromethylsulfanyl benzoic acid,4-trifluoromethyl-mercapto-benzoic acid,pubchem13674,acmc-209hxv,4-trifluoromethylthiobenzoic acid |
| IUPAC Name | 4-(trifluoromethylsulfanyl)benzoic acid |
| InChI Key | UMOGQQWVQUQTQA-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O2S |