Organoheterocyclic compounds
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5-(Bromomethyl)-2,4-diphenyl-1,3-thiazole, Tech., Thermo Scientific™
CAS: 876316-44-8 Molecular Formula: C16H12BrNS Molecular Weight (g/mol): 330.243 MDL Number: MFCD08271912 InChI Key: QDYJLVQRXQKPKL-UHFFFAOYSA-N Synonym: 5-bromomethyl-2,4-diphenyl-1,3-thiazole,thiazole,5-bromomethyl-2,4-diphenyl,5-bromomethyl-2,4-diphenylthiazole PubChem CID: 18525758 IUPAC Name: 5-(bromomethyl)-2,4-diphenyl-1,3-thiazole SMILES: C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=C3)CBr
| PubChem CID | 18525758 |
|---|---|
| CAS | 876316-44-8 |
| Molecular Weight (g/mol) | 330.243 |
| MDL Number | MFCD08271912 |
| SMILES | C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=C3)CBr |
| Synonym | 5-bromomethyl-2,4-diphenyl-1,3-thiazole,thiazole,5-bromomethyl-2,4-diphenyl,5-bromomethyl-2,4-diphenylthiazole |
| IUPAC Name | 5-(bromomethyl)-2,4-diphenyl-1,3-thiazole |
| InChI Key | QDYJLVQRXQKPKL-UHFFFAOYSA-N |
| Molecular Formula | C16H12BrNS |
4-(2,5-Dimethyl-1-pyrrolyl)benzonitrile, 98%
CAS: 119516-86-8 Molecular Formula: C13H12N2 Molecular Weight (g/mol): 196.253 InChI Key: FNDFKQYZEDOHRC-UHFFFAOYSA-N Synonym: 1-4-cyanophenyl-2,5-dimethylpyrrole,4-2,5-dimethylpyrrol-1-yl benzonitrile,4-2,5-dimethyl-1h-pyrrol-1-yl benzonitrile,2,5-dimethyl-1-4-cyanophenyl pyrrole,n-4'-cyanophenyl-2,5-dimethylpyrrole,4-2,5-dimethyl-1-pyrrolyl benzonitrile,benzonitrile,4-2,5-dimethyl-1h-pyrrol-1-yl PubChem CID: 3787857 IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)benzonitrile SMILES: CC1=CC=C(N1C2=CC=C(C=C2)C#N)C
| PubChem CID | 3787857 |
|---|---|
| CAS | 119516-86-8 |
| Molecular Weight (g/mol) | 196.253 |
| SMILES | CC1=CC=C(N1C2=CC=C(C=C2)C#N)C |
| Synonym | 1-4-cyanophenyl-2,5-dimethylpyrrole,4-2,5-dimethylpyrrol-1-yl benzonitrile,4-2,5-dimethyl-1h-pyrrol-1-yl benzonitrile,2,5-dimethyl-1-4-cyanophenyl pyrrole,n-4'-cyanophenyl-2,5-dimethylpyrrole,4-2,5-dimethyl-1-pyrrolyl benzonitrile,benzonitrile,4-2,5-dimethyl-1h-pyrrol-1-yl |
| IUPAC Name | 4-(2,5-dimethylpyrrol-1-yl)benzonitrile |
| InChI Key | FNDFKQYZEDOHRC-UHFFFAOYSA-N |
| Molecular Formula | C13H12N2 |
3-Amino-4-phenyl-1H-pyrazole, 95%
CAS: 5591-70-8 Molecular Formula: C9H9N3 Molecular Weight (g/mol): 159.192 MDL Number: MFCD01693715 InChI Key: QEHKQNYBBLCFIJ-UHFFFAOYSA-N Synonym: 4-phenyl-1h-pyrazol-3-amine,3-amino-4-phenylpyrazole,3-amino-4-phenyl-1h-pyrazole,4-phenyl-2h-pyrazol-3-ylamine,usaf el-34,3-amino-4-phenyl pyrazole,4-phenyl-1h-pyrazol-3-ylamine,1h-pyrazol-4-amine, 4-phenyl-9ci,4-phenyl-2h-pyrazol-3-amine,pyrazole, 3-amino-4-phenyl PubChem CID: 79703 IUPAC Name: 4-phenyl-1H-pyrazol-5-amine SMILES: C1=CC=C(C=C1)C2=C(NN=C2)N
| PubChem CID | 79703 |
|---|---|
| CAS | 5591-70-8 |
| Molecular Weight (g/mol) | 159.192 |
| MDL Number | MFCD01693715 |
| SMILES | C1=CC=C(C=C1)C2=C(NN=C2)N |
| Synonym | 4-phenyl-1h-pyrazol-3-amine,3-amino-4-phenylpyrazole,3-amino-4-phenyl-1h-pyrazole,4-phenyl-2h-pyrazol-3-ylamine,usaf el-34,3-amino-4-phenyl pyrazole,4-phenyl-1h-pyrazol-3-ylamine,1h-pyrazol-4-amine, 4-phenyl-9ci,4-phenyl-2h-pyrazol-3-amine,pyrazole, 3-amino-4-phenyl |
| IUPAC Name | 4-phenyl-1H-pyrazol-5-amine |
| InChI Key | QEHKQNYBBLCFIJ-UHFFFAOYSA-N |
| Molecular Formula | C9H9N3 |
1,3-Dithiane, 97%
CAS: 505-23-7 Molecular Formula: C4H8S2 Molecular Weight (g/mol): 120.23 MDL Number: MFCD00006654 InChI Key: WQADWIOXOXRPLN-UHFFFAOYSA-N Synonym: 1,3-dithiacyclohexane,m-dithiane,dithiane-1,3,1,3-dithian,dithiane-1,3 french,1,3 dithiane,ccris 6777,m-dithiane, 8ci,1,3 dithiocyclohexane,acmc-209knk PubChem CID: 10451 ChEBI: CHEBI:47845 IUPAC Name: 1,3-dithiane SMILES: C1CSCSC1
| PubChem CID | 10451 |
|---|---|
| CAS | 505-23-7 |
| Molecular Weight (g/mol) | 120.23 |
| ChEBI | CHEBI:47845 |
| MDL Number | MFCD00006654 |
| SMILES | C1CSCSC1 |
| Synonym | 1,3-dithiacyclohexane,m-dithiane,dithiane-1,3,1,3-dithian,dithiane-1,3 french,1,3 dithiane,ccris 6777,m-dithiane, 8ci,1,3 dithiocyclohexane,acmc-209knk |
| IUPAC Name | 1,3-dithiane |
| InChI Key | WQADWIOXOXRPLN-UHFFFAOYSA-N |
| Molecular Formula | C4H8S2 |
D-Biotin, ≥97.5%, Cell Culture Reagent Grade, MP Biomedicals™
CAS: 58-85-5 Molecular Formula: C10H16N2O3S Molecular Weight (g/mol): 244.31 MDL Number: MFCD00005541 InChI Key: YBJHBAHKTGYVGT-UHFFFAOYNA-N Synonym: biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin PubChem CID: 171548 ChEBI: CHEBI:15956 SMILES: OC(=O)CCCCC1SCC2NC(=O)NC12
| PubChem CID | 171548 |
|---|---|
| CAS | 58-85-5 |
| Molecular Weight (g/mol) | 244.31 |
| ChEBI | CHEBI:15956 |
| MDL Number | MFCD00005541 |
| SMILES | OC(=O)CCCCC1SCC2NC(=O)NC12 |
| Synonym | biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin |
| InChI Key | YBJHBAHKTGYVGT-UHFFFAOYNA-N |
| Molecular Formula | C10H16N2O3S |
2-Fluoropyridine-4-boronic acid pinacol ester, 95%
CAS: 458532-86-0 Molecular Formula: C11H15BFNO2 Molecular Weight (g/mol): 223.05 MDL Number: MFCD06798253 InChI Key: PCLMNCBIXQQRMB-UHFFFAOYSA-N Synonym: 2-fluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-fluoropyridine-4-boronic acid pinacol ester,2-fluoro-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-fluoropyridin-4-boronic acid pinacol ester,2-fluoropyridin-4-ylboronic acid pinacol ester,pyridine, 2-fluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,abbypharma ap-11-5396,2-fluoro-4-pyridineboronic acid pinacol ester,2-fluoropyridin-4-yl boronic acid pinacol ester,2-2-fluoro 4-pyridyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane PubChem CID: 12060164 IUPAC Name: 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine SMILES: CC1(C)OB(OC1(C)C)C1=CC(F)=NC=C1
| PubChem CID | 12060164 |
|---|---|
| CAS | 458532-86-0 |
| Molecular Weight (g/mol) | 223.05 |
| MDL Number | MFCD06798253 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC(F)=NC=C1 |
| Synonym | 2-fluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-fluoropyridine-4-boronic acid pinacol ester,2-fluoro-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-fluoropyridin-4-boronic acid pinacol ester,2-fluoropyridin-4-ylboronic acid pinacol ester,pyridine, 2-fluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,abbypharma ap-11-5396,2-fluoro-4-pyridineboronic acid pinacol ester,2-fluoropyridin-4-yl boronic acid pinacol ester,2-2-fluoro 4-pyridyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| IUPAC Name | 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| InChI Key | PCLMNCBIXQQRMB-UHFFFAOYSA-N |
| Molecular Formula | C11H15BFNO2 |
4-Bromo-1,2-(methylenedioxy)benzene, 97%
CAS: 2635-13-4 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.02 MDL Number: MFCD00005821 InChI Key: FBOYMIDCHINJKC-UHFFFAOYSA-N Synonym: 4-bromo-1,2-methylenedioxy benzene,5-bromobenzo d 1,3 dioxole,4-bromo-1,2-methylenedioxybenzene,1-bromo-3,4-methylenedioxy benzene,3,4-methylenedioxybromobenzene,5-bromo-2h-1,3-benzodioxole,5-bromobenzo-1,3-dioxole,5-bromo-benzo 1,3 dioxole,1,3-benzodioxole, 5-bromo,3,4-methylenedioxy bromobenzene PubChem CID: 75831 SMILES: BrC1=CC=C2OCOC2=C1
| PubChem CID | 75831 |
|---|---|
| CAS | 2635-13-4 |
| Molecular Weight (g/mol) | 201.02 |
| MDL Number | MFCD00005821 |
| SMILES | BrC1=CC=C2OCOC2=C1 |
| Synonym | 4-bromo-1,2-methylenedioxy benzene,5-bromobenzo d 1,3 dioxole,4-bromo-1,2-methylenedioxybenzene,1-bromo-3,4-methylenedioxy benzene,3,4-methylenedioxybromobenzene,5-bromo-2h-1,3-benzodioxole,5-bromobenzo-1,3-dioxole,5-bromo-benzo 1,3 dioxole,1,3-benzodioxole, 5-bromo,3,4-methylenedioxy bromobenzene |
| InChI Key | FBOYMIDCHINJKC-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO2 |
2,3-Dimethylmaleic anhydride, 97%
CAS: 766-39-2 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.111 MDL Number: MFCD00005523 InChI Key: MFGALGYVFGDXIX-UHFFFAOYSA-N Synonym: 2,3-dimethylmaleic anhydride,dimethylmaleic anhydride,2,5-furandione, 3,4-dimethyl,pyrocinchonic anhydride,maleic anhydride, dimethyl,dimethylmaleic acid anhydride,2,3-dimethylmaleicanhydride,unii-6pp3n541qa,3,4-dimethyl-furan-2,5-dione,alpha,beta-dimethylmaleic anhydride PubChem CID: 13010 IUPAC Name: 3,4-dimethylfuran-2,5-dione SMILES: CC1=C(C(=O)OC1=O)C
| PubChem CID | 13010 |
|---|---|
| CAS | 766-39-2 |
| Molecular Weight (g/mol) | 126.111 |
| MDL Number | MFCD00005523 |
| SMILES | CC1=C(C(=O)OC1=O)C |
| Synonym | 2,3-dimethylmaleic anhydride,dimethylmaleic anhydride,2,5-furandione, 3,4-dimethyl,pyrocinchonic anhydride,maleic anhydride, dimethyl,dimethylmaleic acid anhydride,2,3-dimethylmaleicanhydride,unii-6pp3n541qa,3,4-dimethyl-furan-2,5-dione,alpha,beta-dimethylmaleic anhydride |
| IUPAC Name | 3,4-dimethylfuran-2,5-dione |
| InChI Key | MFGALGYVFGDXIX-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |
3-n-Octylthiophene, 97%
CAS: 65016-62-8 Molecular Formula: C12H20S Molecular Weight (g/mol): 196.352 MDL Number: MFCD00085281 InChI Key: WQYWXQCOYRZFAV-UHFFFAOYSA-N Synonym: 3-n-octylthiophene,thiophene, 3-octyl,acmc-1bfcd,3-octylthiophene,ksc491i4b,bidd:gt0691 PubChem CID: 566852 IUPAC Name: 3-octylthiophene SMILES: CCCCCCCCC1=CSC=C1
| PubChem CID | 566852 |
|---|---|
| CAS | 65016-62-8 |
| Molecular Weight (g/mol) | 196.352 |
| MDL Number | MFCD00085281 |
| SMILES | CCCCCCCCC1=CSC=C1 |
| Synonym | 3-n-octylthiophene,thiophene, 3-octyl,acmc-1bfcd,3-octylthiophene,ksc491i4b,bidd:gt0691 |
| IUPAC Name | 3-octylthiophene |
| InChI Key | WQYWXQCOYRZFAV-UHFFFAOYSA-N |
| Molecular Formula | C12H20S |
3-Amino-1H-pyrazole, 97+%
CAS: 1820-80-0 Molecular Formula: C3H5N3 Molecular Weight (g/mol): 83.094 MDL Number: MFCD00005236 InChI Key: JVVRJMXHNUAPHW-UHFFFAOYSA-N Synonym: 3-aminopyrazole,1h-pyrazol-3-amine,1h-pyrazole-5-amine,5-aminopyrazole,1h-pyrazol-3-ylamine,3-amino-1h-pyrazole,3-aminopyrozole,5-amino-1h-pyrazole,aminopyrazole,3-pyrazolamine PubChem CID: 74561 IUPAC Name: 1H-pyrazol-5-amine SMILES: C1=C(NN=C1)N
| PubChem CID | 74561 |
|---|---|
| CAS | 1820-80-0 |
| Molecular Weight (g/mol) | 83.094 |
| MDL Number | MFCD00005236 |
| SMILES | C1=C(NN=C1)N |
| Synonym | 3-aminopyrazole,1h-pyrazol-3-amine,1h-pyrazole-5-amine,5-aminopyrazole,1h-pyrazol-3-ylamine,3-amino-1h-pyrazole,3-aminopyrozole,5-amino-1h-pyrazole,aminopyrazole,3-pyrazolamine |
| IUPAC Name | 1H-pyrazol-5-amine |
| InChI Key | JVVRJMXHNUAPHW-UHFFFAOYSA-N |
| Molecular Formula | C3H5N3 |
5-Methylindole, 99%
CAS: 614-96-0 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.178 MDL Number: MFCD00005680 InChI Key: YPKBCLZFIYBSHK-UHFFFAOYSA-N Synonym: 5-methylindole,1h-indole, 5-methyl,5-methylindol,indole, 5-methyl,5-methyl indole,unii-kt52363ri5,5-methyl-indole,indole, 2,pubchem7238 PubChem CID: 11978 IUPAC Name: 5-methyl-1H-indole SMILES: CC1=CC2=C(C=C1)NC=C2
| PubChem CID | 11978 |
|---|---|
| CAS | 614-96-0 |
| Molecular Weight (g/mol) | 131.178 |
| MDL Number | MFCD00005680 |
| SMILES | CC1=CC2=C(C=C1)NC=C2 |
| Synonym | 5-methylindole,1h-indole, 5-methyl,5-methylindol,indole, 5-methyl,5-methyl indole,unii-kt52363ri5,5-methyl-indole,indole, 2,pubchem7238 |
| IUPAC Name | 5-methyl-1H-indole |
| InChI Key | YPKBCLZFIYBSHK-UHFFFAOYSA-N |
| Molecular Formula | C9H9N |
4-(Iodomethyl)tetrahydro-2H-pyran, 97%
CAS: 101691-94-5 Molecular Formula: C6H11IO Molecular Weight (g/mol): 226.05 InChI Key: MQLFSPBSNWUXSO-UHFFFAOYSA-N Synonym: 4-iodomethyl tetrahydro-2h-pyran,4-iodomethyl oxane,4-iodomethyl-tetrahydro-pyran,4-iodomethyl tetrahydropyran,2h-pyran, tetrahydro-4-iodomethyl,4-iodomethyl-tetrahydro-2h-pyran,2h-pyran,tetrahydro-4-iodomethyl,acmc-20a1ce,4-iodomethyltetrahydropyran,4-iodomethyl-tetrahydropyran PubChem CID: 2795507 IUPAC Name: 4-(iodomethyl)oxane SMILES: C1COCCC1CI
| PubChem CID | 2795507 |
|---|---|
| CAS | 101691-94-5 |
| Molecular Weight (g/mol) | 226.05 |
| SMILES | C1COCCC1CI |
| Synonym | 4-iodomethyl tetrahydro-2h-pyran,4-iodomethyl oxane,4-iodomethyl-tetrahydro-pyran,4-iodomethyl tetrahydropyran,2h-pyran, tetrahydro-4-iodomethyl,4-iodomethyl-tetrahydro-2h-pyran,2h-pyran,tetrahydro-4-iodomethyl,acmc-20a1ce,4-iodomethyltetrahydropyran,4-iodomethyl-tetrahydropyran |
| IUPAC Name | 4-(iodomethyl)oxane |
| InChI Key | MQLFSPBSNWUXSO-UHFFFAOYSA-N |
| Molecular Formula | C6H11IO |
3,5-Dichloropyridine, 98%
CAS: 2457-47-8 Molecular Formula: C5H3Cl2N Molecular Weight (g/mol): 147.99 MDL Number: MFCD00006376 InChI Key: WPGHPGAUFIJVJF-UHFFFAOYSA-N Synonym: pyridine, 3,5-dichloro,ccris 1719,3.5-dichloropyridine,3,5-dichloro pyridine,3,5-dichloro-pyridine,pubchem13506,acmc-1cqt0,wln: t6nj cg eg,5-20-05-00417 beilstein handbook reference,ksc493c0d PubChem CID: 17153 IUPAC Name: 3,5-dichloropyridine SMILES: ClC1=CC(Cl)=CN=C1
| PubChem CID | 17153 |
|---|---|
| CAS | 2457-47-8 |
| Molecular Weight (g/mol) | 147.99 |
| MDL Number | MFCD00006376 |
| SMILES | ClC1=CC(Cl)=CN=C1 |
| Synonym | pyridine, 3,5-dichloro,ccris 1719,3.5-dichloropyridine,3,5-dichloro pyridine,3,5-dichloro-pyridine,pubchem13506,acmc-1cqt0,wln: t6nj cg eg,5-20-05-00417 beilstein handbook reference,ksc493c0d |
| IUPAC Name | 3,5-dichloropyridine |
| InChI Key | WPGHPGAUFIJVJF-UHFFFAOYSA-N |
| Molecular Formula | C5H3Cl2N |
4-Chloro-7-fluoro-2-methylquinoline, 95%
CAS: 18529-04-9 Molecular Formula: C10H7ClFN Molecular Weight (g/mol): 195.621 MDL Number: MFCD00272333 InChI Key: BBZQRRHOPBBNRO-UHFFFAOYSA-N Synonym: quinoline,4-chloro-7-fluoro-2-methyl,acmc-1bvel,4-chloro-7-fluoroquinaldine PubChem CID: 15151230 IUPAC Name: 4-chloro-7-fluoro-2-methylquinoline SMILES: CC1=NC2=C(C=CC(=C2)F)C(=C1)Cl
| PubChem CID | 15151230 |
|---|---|
| CAS | 18529-04-9 |
| Molecular Weight (g/mol) | 195.621 |
| MDL Number | MFCD00272333 |
| SMILES | CC1=NC2=C(C=CC(=C2)F)C(=C1)Cl |
| Synonym | quinoline,4-chloro-7-fluoro-2-methyl,acmc-1bvel,4-chloro-7-fluoroquinaldine |
| IUPAC Name | 4-chloro-7-fluoro-2-methylquinoline |
| InChI Key | BBZQRRHOPBBNRO-UHFFFAOYSA-N |
| Molecular Formula | C10H7ClFN |
5-Azacytosine, 98% (dry wt.), may cont. up to ca 7% water
CAS: 931-86-2 Molecular Formula: C3H4N4O Molecular Weight (g/mol): 112.09 MDL Number: MFCD00006033,MFCD00149402,MFCD00051007 InChI Key: MFEFTTYGMZOIKO-UHFFFAOYSA-N Synonym: 5-azacytosine,1,3,5-triazin-2 1h-one, 4-amino,4-amino-1,3,5-triazin-2 1h-one,4-amino-1,3,5-triazin-2-ol,4-amino-1,3,5-triazin-2-one,s-triazin-2 1h-one, 4-amino,s-triazin-2-ol, 4-amino,2-amino-4-hydroxy-s-triazine,6-amino-1,3,5-triazin-2 1h-one,4-amino-s-triazin-2 1h-one PubChem CID: 19956 ChEBI: CHEBI:72474 SMILES: NC1=NC=NC(=O)N1
| PubChem CID | 19956 |
|---|---|
| CAS | 931-86-2 |
| Molecular Weight (g/mol) | 112.09 |
| ChEBI | CHEBI:72474 |
| MDL Number | MFCD00006033,MFCD00149402,MFCD00051007 |
| SMILES | NC1=NC=NC(=O)N1 |
| Synonym | 5-azacytosine,1,3,5-triazin-2 1h-one, 4-amino,4-amino-1,3,5-triazin-2 1h-one,4-amino-1,3,5-triazin-2-ol,4-amino-1,3,5-triazin-2-one,s-triazin-2 1h-one, 4-amino,s-triazin-2-ol, 4-amino,2-amino-4-hydroxy-s-triazine,6-amino-1,3,5-triazin-2 1h-one,4-amino-s-triazin-2 1h-one |
| InChI Key | MFEFTTYGMZOIKO-UHFFFAOYSA-N |
| Molecular Formula | C3H4N4O |