Organoheterocyclic compounds
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5,5-Diphenylhydantoin, 99%
CAS: 57-41-0 Molecular Formula: C15H12N2O2 Molecular Weight (g/mol): 252.273 MDL Number: MFCD00005264 InChI Key: CXOFVDLJLONNDW-UHFFFAOYSA-N Synonym: phenytoin,5,5-diphenylhydantoin,diphenylhydantoin,dilantin,phenytoine,dihydantoin,aleviatin,dilabid,diphantoin,diphenylan PubChem CID: 1775 ChEBI: CHEBI:8107 IUPAC Name: 5,5-diphenylimidazolidine-2,4-dione SMILES: C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3
| PubChem CID | 1775 |
|---|---|
| CAS | 57-41-0 |
| Molecular Weight (g/mol) | 252.273 |
| ChEBI | CHEBI:8107 |
| MDL Number | MFCD00005264 |
| SMILES | C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3 |
| Synonym | phenytoin,5,5-diphenylhydantoin,diphenylhydantoin,dilantin,phenytoine,dihydantoin,aleviatin,dilabid,diphantoin,diphenylan |
| IUPAC Name | 5,5-diphenylimidazolidine-2,4-dione |
| InChI Key | CXOFVDLJLONNDW-UHFFFAOYSA-N |
| Molecular Formula | C15H12N2O2 |
1-Methyl-2-imidazolidinone, 98+%
CAS: 694-32-6 Molecular Formula: C4H8N2O Molecular Weight (g/mol): 100.12 MDL Number: MFCD00800601 InChI Key: JTPZTKBRUCILQD-UHFFFAOYSA-N PubChem CID: 567600 IUPAC Name: 1-methylimidazolidin-2-one SMILES: CN1CCNC1=O
| PubChem CID | 567600 |
|---|---|
| CAS | 694-32-6 |
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00800601 |
| SMILES | CN1CCNC1=O |
| IUPAC Name | 1-methylimidazolidin-2-one |
| InChI Key | JTPZTKBRUCILQD-UHFFFAOYSA-N |
| Molecular Formula | C4H8N2O |
Glycoluril, 97%
CAS: 496-46-8 Molecular Formula: C4H6N4O2 Molecular Weight (g/mol): 142.12 InChI Key: VPVSTMAPERLKKM-UHFFFAOYSA-N Synonym: glycoluril,acetyleneurea,acetylenediureine,acetylenediurea,glyoxalbiuret,glyoxaldiureine,acetylene carbamide,diurea glyoxalate,tetrahydroimidazo 4,5-d imidazole-2,5 1h,3h-dione,glyoxaldiurene PubChem CID: 62347 ChEBI: CHEBI:42946 IUPAC Name: 1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazole-2,5-dione SMILES: C12C(NC(=O)N1)NC(=O)N2
| PubChem CID | 62347 |
|---|---|
| CAS | 496-46-8 |
| Molecular Weight (g/mol) | 142.12 |
| ChEBI | CHEBI:42946 |
| SMILES | C12C(NC(=O)N1)NC(=O)N2 |
| Synonym | glycoluril,acetyleneurea,acetylenediureine,acetylenediurea,glyoxalbiuret,glyoxaldiureine,acetylene carbamide,diurea glyoxalate,tetrahydroimidazo 4,5-d imidazole-2,5 1h,3h-dione,glyoxaldiurene |
| IUPAC Name | 1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazole-2,5-dione |
| InChI Key | VPVSTMAPERLKKM-UHFFFAOYSA-N |
| Molecular Formula | C4H6N4O2 |
2-Thiohydantoin, 98%
CAS: 503-87-7 Molecular Formula: C3H4N2OS Molecular Weight (g/mol): 116.14 MDL Number: MFCD00005277 InChI Key: UGWULZWUXSCWPX-UHFFFAOYSA-N Synonym: 2-thiohydantoin,thiohydantoin,4-imidazolidinone, 2-thioxo,2-thioxoimidazolidin-4-one,2-thioguidanthion,hydantoin, 2-thio,usaf be-25,2-thioxo-4-imidazolidinone,2-thioxo-1,3-diazolidin-4-one,glycine thiohydantoin PubChem CID: 1274030 IUPAC Name: 2-sulfanylideneimidazolidin-4-one SMILES: O=C1CNC(=S)N1
| PubChem CID | 1274030 |
|---|---|
| CAS | 503-87-7 |
| Molecular Weight (g/mol) | 116.14 |
| MDL Number | MFCD00005277 |
| SMILES | O=C1CNC(=S)N1 |
| Synonym | 2-thiohydantoin,thiohydantoin,4-imidazolidinone, 2-thioxo,2-thioxoimidazolidin-4-one,2-thioguidanthion,hydantoin, 2-thio,usaf be-25,2-thioxo-4-imidazolidinone,2-thioxo-1,3-diazolidin-4-one,glycine thiohydantoin |
| IUPAC Name | 2-sulfanylideneimidazolidin-4-one |
| InChI Key | UGWULZWUXSCWPX-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2OS |
2-Imidazolidinone hemihydrate, 98+%
CAS: 121325-67-5 Molecular Formula: C6H14N4O3 Molecular Weight (g/mol): 190.20 MDL Number: MFCD02662355 InChI Key: KPRJGGOOWATRNT-UHFFFAOYSA-N Synonym: imidazolidin-2-one hydrate,2-imidazolidinone hemihydrate,2-imidazolidone hemihydrate,bis imidazolidin-2-one hydrate,bis imidazolidinone hydrate,2-imidazolidinone, hydrate 2:1,imidazolidin-2-one, imidazolidin-2-one, hydrate PubChem CID: 2723651 IUPAC Name: imidazolidin-2-one;hydrate SMILES: O.O=C1NCCN1.O=C1NCCN1
| PubChem CID | 2723651 |
|---|---|
| CAS | 121325-67-5 |
| Molecular Weight (g/mol) | 190.20 |
| MDL Number | MFCD02662355 |
| SMILES | O.O=C1NCCN1.O=C1NCCN1 |
| Synonym | imidazolidin-2-one hydrate,2-imidazolidinone hemihydrate,2-imidazolidone hemihydrate,bis imidazolidin-2-one hydrate,bis imidazolidinone hydrate,2-imidazolidinone, hydrate 2:1,imidazolidin-2-one, imidazolidin-2-one, hydrate |
| IUPAC Name | imidazolidin-2-one;hydrate |
| InChI Key | KPRJGGOOWATRNT-UHFFFAOYSA-N |
| Molecular Formula | C6H14N4O3 |
Alpha Lipoic Acid Dietary Supplement, USP, 99-101%, Spectrum™ Chemical
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CAS: 1077-28-7 Molecular Formula: C8H14O2S2 Molecular Weight (g/mol): 206.32 MDL Number: MFCD00005474 InChI Key: AGBQKNBQESQNJD-UHFFFAOYNA-N IUPAC Name: 5-(1,2-dithiolan-3-yl)pentanoic acid SMILES: OC(=O)CCCCC1CCSS1
| CAS | 1077-28-7 |
|---|---|
| Molecular Weight (g/mol) | 206.32 |
| MDL Number | MFCD00005474 |
| SMILES | OC(=O)CCCCC1CCSS1 |
| IUPAC Name | 5-(1,2-dithiolan-3-yl)pentanoic acid |
| InChI Key | AGBQKNBQESQNJD-UHFFFAOYNA-N |
| Molecular Formula | C8H14O2S2 |
Thermo Scientific Chemicals DL-Thioctic Acid, 98+%
CAS: 1077-28-7 Molecular Formula: C8H14O2S2 Molecular Weight (g/mol): 206.32 MDL Number: MFCD00005474 InChI Key: AGBQKNBQESQNJD-UHFFFAOYNA-N Synonym: dl-thioctic acid,thioctic acid,alpha-lipoic acid,5-1,2-dithiolan-3-yl pentanoic acid,dl-alpha-lipoic acid,1,2-dithiolane-3-pentanoic acid,6,8-thioctic acid,thioctacid,6-thioctic acid,alpha lipoic acid PubChem CID: 864 ChEBI: CHEBI:16494 IUPAC Name: 5-(dithiolan-3-yl)pentanoic acid SMILES: OC(=O)CCCCC1CCSS1
| PubChem CID | 864 |
|---|---|
| CAS | 1077-28-7 |
| Molecular Weight (g/mol) | 206.32 |
| ChEBI | CHEBI:16494 |
| MDL Number | MFCD00005474 |
| SMILES | OC(=O)CCCCC1CCSS1 |
| Synonym | dl-thioctic acid,thioctic acid,alpha-lipoic acid,5-1,2-dithiolan-3-yl pentanoic acid,dl-alpha-lipoic acid,1,2-dithiolane-3-pentanoic acid,6,8-thioctic acid,thioctacid,6-thioctic acid,alpha lipoic acid |
| IUPAC Name | 5-(dithiolan-3-yl)pentanoic acid |
| InChI Key | AGBQKNBQESQNJD-UHFFFAOYNA-N |
| Molecular Formula | C8H14O2S2 |
Alpha-Lipoic Acid, Spectrum™ Chemical
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CAS: 1077-28-7
| CAS | 1077-28-7 |
|---|
2-Methyl-1,3-dithiolane, 99%
CAS: 5616-51-3 Molecular Formula: C4H8S2 Molecular Weight (g/mol): 120.23 MDL Number: MFCD01729666 InChI Key: CARJCVDELAMAEJ-UHFFFAOYSA-N Synonym: 1,3-dithiolane, 2-methyl,2-methyl-1,3-dithiacyclopentane,unii-4o81r0spr0,1,3-dithiolane,2-methyl,fema no. 3705,acmc-20anre,acetaldehdye ethylene thioacetal PubChem CID: 21828 IUPAC Name: 2-methyl-1,3-dithiolane SMILES: CC1SCCS1
| PubChem CID | 21828 |
|---|---|
| CAS | 5616-51-3 |
| Molecular Weight (g/mol) | 120.23 |
| MDL Number | MFCD01729666 |
| SMILES | CC1SCCS1 |
| Synonym | 1,3-dithiolane, 2-methyl,2-methyl-1,3-dithiacyclopentane,unii-4o81r0spr0,1,3-dithiolane,2-methyl,fema no. 3705,acmc-20anre,acetaldehdye ethylene thioacetal |
| IUPAC Name | 2-methyl-1,3-dithiolane |
| InChI Key | CARJCVDELAMAEJ-UHFFFAOYSA-N |
| Molecular Formula | C4H8S2 |
6-Nitropiperonyl alcohol, 98+%
CAS: 15341-08-9 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.15 MDL Number: MFCD00005825 InChI Key: LJXBRPHBDWIHPR-UHFFFAOYSA-N Synonym: 6-nitropiperonyl alcohol,6-nitrobenzo d 1,3 dioxol-5-yl methanol,3,4-methylenedioxy-6-nitrobenzyl alcohol,6-nitro-3,4-methylenedioxybenzyl alcohol,6-nitro-1,3-benzodioxol-5-yl methanol,6-nitro-2h-1,3-benzodioxol-5-yl methanol,6-nitro-1,3-benzodioxole-5-methanol,1,3-benzodioxole-5-methanol,6-nitro,1,3-benzodioxole-5-methanol, 6-nitro,6-nitro-1,3-benzodioxol-5-yl methanol # PubChem CID: 519111 IUPAC Name: (5-nitro-2H-1,3-benzodioxol-4-yl)methanol SMILES: OCC1=C2OCOC2=CC=C1[N+]([O-])=O
| PubChem CID | 519111 |
|---|---|
| CAS | 15341-08-9 |
| Molecular Weight (g/mol) | 197.15 |
| MDL Number | MFCD00005825 |
| SMILES | OCC1=C2OCOC2=CC=C1[N+]([O-])=O |
| Synonym | 6-nitropiperonyl alcohol,6-nitrobenzo d 1,3 dioxol-5-yl methanol,3,4-methylenedioxy-6-nitrobenzyl alcohol,6-nitro-3,4-methylenedioxybenzyl alcohol,6-nitro-1,3-benzodioxol-5-yl methanol,6-nitro-2h-1,3-benzodioxol-5-yl methanol,6-nitro-1,3-benzodioxole-5-methanol,1,3-benzodioxole-5-methanol,6-nitro,1,3-benzodioxole-5-methanol, 6-nitro,6-nitro-1,3-benzodioxol-5-yl methanol # |
| IUPAC Name | (5-nitro-2H-1,3-benzodioxol-4-yl)methanol |
| InChI Key | LJXBRPHBDWIHPR-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO5 |
1,3-Benzodioxol-5-ylacetyl chloride, ≥97%, Thermo Scientific™
CAS: 6845-81-4 Molecular Formula: C9H7ClO3 Molecular Weight (g/mol): 198.60 MDL Number: MFCD03424722 InChI Key: HGSZGCXMAJSUSC-UHFFFAOYSA-N Synonym: benzo 1,3 dioxol-5-yl-acetyl chloride,1,3-benzodioxol-5-ylacetyl chloride,2-benzo d 1,3 dioxol-5-yl acetyl chloride,benzo 1,3 dioxol-5-ylacetyl chloride,2-2h-1,3-benzodioxol-5-yl acetyl chloride,2-2h-benzo 3,4-d 1,3-dioxolen-5-yl acetyl chloride,1,3-benzodioxole-5-acetylchloride,3,4-methylenedioxyphenylacetylchloride,3,4-methylenedioxyphenylacetyl chloride PubChem CID: 2756584 SMILES: ClC(=O)CC1=CC2=C(OCO2)C=C1
| PubChem CID | 2756584 |
|---|---|
| CAS | 6845-81-4 |
| Molecular Weight (g/mol) | 198.60 |
| MDL Number | MFCD03424722 |
| SMILES | ClC(=O)CC1=CC2=C(OCO2)C=C1 |
| Synonym | benzo 1,3 dioxol-5-yl-acetyl chloride,1,3-benzodioxol-5-ylacetyl chloride,2-benzo d 1,3 dioxol-5-yl acetyl chloride,benzo 1,3 dioxol-5-ylacetyl chloride,2-2h-1,3-benzodioxol-5-yl acetyl chloride,2-2h-benzo 3,4-d 1,3-dioxolen-5-yl acetyl chloride,1,3-benzodioxole-5-acetylchloride,3,4-methylenedioxyphenylacetylchloride,3,4-methylenedioxyphenylacetyl chloride |
| InChI Key | HGSZGCXMAJSUSC-UHFFFAOYSA-N |
| Molecular Formula | C9H7ClO3 |
4',5'-Methylenedioxy-2'-nitroacetophenone, 96%
CAS: 56136-84-6 Molecular Formula: C9H7NO5 Molecular Weight (g/mol): 209.157 MDL Number: MFCD00053045 InChI Key: BQONDGIXVHVIIR-UHFFFAOYSA-N Synonym: 1-6-nitro-1,3-benzodioxol-5-yl ethanone,4',5'-methylenedioxy-2'-nitroacetophenone,4,5-methylenedioxy-2-nitroacetophenone,1-6-nitrobenzo d 1,3 dioxol-5-yl ethanone,1-6-nitro-1,3-benzodioxol-5-yl ethan-1-one,1-6-nitro-2h-1,3-benzodioxol-5-yl ethan-1-one,1-6-nitro-2h-1,3-benzodioxol-5-yl ethanone,5-acetyl-6-nitro-1,3-benzodioxole,4.5-methylenedioxy-2-nitroacetophenone,5-acetyl-6-nitro-2h-benzo d 1,3-dioxolene PubChem CID: 92022 IUPAC Name: 1-(6-nitro-1,3-benzodioxol-5-yl)ethanone SMILES: CC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2
| PubChem CID | 92022 |
|---|---|
| CAS | 56136-84-6 |
| Molecular Weight (g/mol) | 209.157 |
| MDL Number | MFCD00053045 |
| SMILES | CC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2 |
| Synonym | 1-6-nitro-1,3-benzodioxol-5-yl ethanone,4',5'-methylenedioxy-2'-nitroacetophenone,4,5-methylenedioxy-2-nitroacetophenone,1-6-nitrobenzo d 1,3 dioxol-5-yl ethanone,1-6-nitro-1,3-benzodioxol-5-yl ethan-1-one,1-6-nitro-2h-1,3-benzodioxol-5-yl ethan-1-one,1-6-nitro-2h-1,3-benzodioxol-5-yl ethanone,5-acetyl-6-nitro-1,3-benzodioxole,4.5-methylenedioxy-2-nitroacetophenone,5-acetyl-6-nitro-2h-benzo d 1,3-dioxolene |
| IUPAC Name | 1-(6-nitro-1,3-benzodioxol-5-yl)ethanone |
| InChI Key | BQONDGIXVHVIIR-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO5 |
6-Bromopiperonal, 98%
CAS: 15930-53-7 Molecular Formula: C8H5BrO3 Molecular Weight (g/mol): 229.03 MDL Number: MFCD00022952 InChI Key: CSQUXTSIDQURDV-UHFFFAOYSA-N Synonym: 6-bromopiperonal,6-bromo-benzo 1,3 dioxole-5-carbaldehyde,2-bromo-4,5-methylenedioxybenzaldehyde,piperonal, 6-bromo,6-bromobenzo d 1,3 dioxole-5-carbaldehyde,6-bromo-1,3-benzodioxole-5-carboxaldehyde,6-bromo-2h-1,3-benzodioxole-5-carbaldehyde,1,3-benzodioxole-5-carboxaldehyde, 6-bromo,6-bromobenzo 1,3 dioxole-5-carbaldehyde,benzaldehyde, 2-bromo-4,5-methylenedioxy PubChem CID: 95062 IUPAC Name: 6-bromo-1,3-benzodioxole-5-carbaldehyde SMILES: BrC1=CC2=C(OCO2)C=C1C=O
| PubChem CID | 95062 |
|---|---|
| CAS | 15930-53-7 |
| Molecular Weight (g/mol) | 229.03 |
| MDL Number | MFCD00022952 |
| SMILES | BrC1=CC2=C(OCO2)C=C1C=O |
| Synonym | 6-bromopiperonal,6-bromo-benzo 1,3 dioxole-5-carbaldehyde,2-bromo-4,5-methylenedioxybenzaldehyde,piperonal, 6-bromo,6-bromobenzo d 1,3 dioxole-5-carbaldehyde,6-bromo-1,3-benzodioxole-5-carboxaldehyde,6-bromo-2h-1,3-benzodioxole-5-carbaldehyde,1,3-benzodioxole-5-carboxaldehyde, 6-bromo,6-bromobenzo 1,3 dioxole-5-carbaldehyde,benzaldehyde, 2-bromo-4,5-methylenedioxy |
| IUPAC Name | 6-bromo-1,3-benzodioxole-5-carbaldehyde |
| InChI Key | CSQUXTSIDQURDV-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrO3 |
3,4-Methylenedioxynitrobenzene, Spectrum™ Chemical
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CAS: 2620-44-2
| CAS | 2620-44-2 |
|---|
Piperonylonitrile, 97%, Thermo Scientific™
CAS: 4421-09-4 Molecular Weight (g/mol): 147.13 MDL Number: MFCD00005820 InChI Key: PKRWWZCDLJSJIF-UHFFFAOYSA-N Synonym: piperonylonitrile,benzo d 1,3 dioxole-5-carbonitrile,3,4-methylenedioxy benzonitrile,3,4-methylenedioxybenzonitrile,2h-1,3-benzodioxole-5-carbonitrile,benzo-1,3-dioxole-5-carbonitrile,benzonitrile, 3,4-methylenedioxy,2h-benzo d 1,3-dioxolane-5-carbonitrile,pubchem15358 PubChem CID: 78136 IUPAC Name: 1,3-benzodioxole-5-carbonitrile SMILES: C1OC2=C(O1)C=C(C=C2)C#N
| PubChem CID | 78136 |
|---|---|
| CAS | 4421-09-4 |
| Molecular Weight (g/mol) | 147.13 |
| MDL Number | MFCD00005820 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C#N |
| Synonym | piperonylonitrile,benzo d 1,3 dioxole-5-carbonitrile,3,4-methylenedioxy benzonitrile,3,4-methylenedioxybenzonitrile,2h-1,3-benzodioxole-5-carbonitrile,benzo-1,3-dioxole-5-carbonitrile,benzonitrile, 3,4-methylenedioxy,2h-benzo d 1,3-dioxolane-5-carbonitrile,pubchem15358 |
| IUPAC Name | 1,3-benzodioxole-5-carbonitrile |
| InChI Key | PKRWWZCDLJSJIF-UHFFFAOYSA-N |