Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).

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5,071 – 5,085 of 214,432 results

5,071

2-Thiomorpholinoisonicotinic acid, 97%, Thermo Scientific™

CAS: 884507-29-3 Molecular Formula: C10H12N2O2S Molecular Weight (g/mol): 224.278 MDL Number: MFCD09025860 InChI Key: DDAWRDLRTZFVHD-UHFFFAOYSA-N Synonym: 2-thiomorpholinoisonicotinic acid,2-thiomorpholin-4-yl pyridine-4-carboxylic acid,4-pyridinecarboxylicacid, 2-4-thiomorpholinyl,2-1,4-thiazaperhydroin-4-yl pyridine-4-carboxylic acid PubChem CID: 18525848 IUPAC Name: 2-thiomorpholin-4-ylpyridine-4-carboxylic acid SMILES: C1CSCCN1C2=NC=CC(=C2)C(=O)O

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Specifications

PubChem CID	18525848
CAS	884507-29-3
Molecular Weight (g/mol)	224.278
MDL Number	MFCD09025860
SMILES	C1CSCCN1C2=NC=CC(=C2)C(=O)O
Synonym	2-thiomorpholinoisonicotinic acid,2-thiomorpholin-4-yl pyridine-4-carboxylic acid,4-pyridinecarboxylicacid, 2-4-thiomorpholinyl,2-1,4-thiazaperhydroin-4-yl pyridine-4-carboxylic acid
IUPAC Name	2-thiomorpholin-4-ylpyridine-4-carboxylic acid
InChI Key	DDAWRDLRTZFVHD-UHFFFAOYSA-N
Molecular Formula	C10H12N2O2S

5,072

4-Methyl-1,3-dioxane, 99%

CAS: 1120-97-4 Molecular Formula: C₅H₁₀O₂ Molecular Weight (g/mol): 102.13 MDL Number: MFCD00006569 InChI Key: INCCMBMMWVKEGJ-UHFFFAOYSA-N Synonym: 4-methyldioxane,4-methyl-m-dioxane,1,3-dioxane, 4-methyl,m-dioxane, 4-methyl,1,3-butanediol formal,4-methyl-1,3 dioxane,acmc-2099cl,5-19-01-00054 beilstein handbook reference,4-methyl-1,3-dioxan-2-yl,m-dioxane, 4-methyl-8ci PubChem CID: 14269 IUPAC Name: 4-methyl-1,3-dioxane SMILES: CC1CCOCO1

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Specifications

PubChem CID	14269
CAS	1120-97-4
Molecular Weight (g/mol)	102.13
MDL Number	MFCD00006569
SMILES	CC1CCOCO1
Synonym	4-methyldioxane,4-methyl-m-dioxane,1,3-dioxane, 4-methyl,m-dioxane, 4-methyl,1,3-butanediol formal,4-methyl-1,3 dioxane,acmc-2099cl,5-19-01-00054 beilstein handbook reference,4-methyl-1,3-dioxan-2-yl,m-dioxane, 4-methyl-8ci
IUPAC Name	4-methyl-1,3-dioxane
InChI Key	INCCMBMMWVKEGJ-UHFFFAOYSA-N
Molecular Formula	C₅H₁₀O₂

5,073

2,3-Lutidine, 98+%

CAS: 583-61-9 MDL Number: MFCD00009605 InChI Key: HPYNZHMRTTWQTB-UHFFFAOYSA-N Synonym: 2,3-lutidine,pyridine, 2,3-dimethyl,pyridine, dimethyl,dimethylpyridine,unii-5q0f649h6g,2,3-dimethyl-pyridine,2-3-lutidine,pyridine,3-dimethyl,2,3-d1methylpyridine,pubchem20520 PubChem CID: 11420 IUPAC Name: 2,3-dimethylpyridine SMILES: CC1=C(N=CC=C1)C

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PubChem CID	11420
CAS	583-61-9
MDL Number	MFCD00009605
SMILES	CC1=C(N=CC=C1)C
Synonym	2,3-lutidine,pyridine, 2,3-dimethyl,pyridine, dimethyl,dimethylpyridine,unii-5q0f649h6g,2,3-dimethyl-pyridine,2-3-lutidine,pyridine,3-dimethyl,2,3-d1methylpyridine,pubchem20520
IUPAC Name	2,3-dimethylpyridine
InChI Key	HPYNZHMRTTWQTB-UHFFFAOYSA-N

5,074

2-Chloro-5-pyridineboronic acid, 97%

CAS: 444120-91-6 Molecular Formula: C5H5BClNO2 Molecular Weight (g/mol): 157.36 MDL Number: MFCD03094998 InChI Key: WPAPNCXMYWRTTL-UHFFFAOYSA-N Synonym: 2-chloropyridine-5-boronic acid,6-chloropyridin-3-yl boronic acid,2-chloro-5-pyridineboronic acid,2-chloro-5-pyridylboronic acid,6-chloro-3-pyridylboronic acid,6-chloropyridin-3-yl-3-boronic acid,6-chloropyridine-3-boronic acid,2-chloropyridin-5-ylboronic acid,6-chloro-3-pyridinylboronic acid,2-chloro-pyridine-5-boronic acid PubChem CID: 3845034 IUPAC Name: (6-chloropyridin-3-yl)boronic acid SMILES: OB(O)C1=CC=C(Cl)N=C1

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Specifications

PubChem CID	3845034
CAS	444120-91-6
Molecular Weight (g/mol)	157.36
MDL Number	MFCD03094998
SMILES	OB(O)C1=CC=C(Cl)N=C1
Synonym	2-chloropyridine-5-boronic acid,6-chloropyridin-3-yl boronic acid,2-chloro-5-pyridineboronic acid,2-chloro-5-pyridylboronic acid,6-chloro-3-pyridylboronic acid,6-chloropyridin-3-yl-3-boronic acid,6-chloropyridine-3-boronic acid,2-chloropyridin-5-ylboronic acid,6-chloro-3-pyridinylboronic acid,2-chloro-pyridine-5-boronic acid
IUPAC Name	(6-chloropyridin-3-yl)boronic acid
InChI Key	WPAPNCXMYWRTTL-UHFFFAOYSA-N
Molecular Formula	C5H5BClNO2

5,075

4-Chlorophthalic Anhydride 98.0+%, TCI America™

CAS: 118-45-6 Molecular Formula: C8H3ClO3 Molecular Weight (g/mol): 182.56 MDL Number: MFCD00152354 InChI Key: BTTRMCQEPDPCPA-UHFFFAOYSA-N PubChem CID: 67044 IUPAC Name: 5-chloro-1,3-dihydro-2-benzofuran-1,3-dione SMILES: ClC1=CC=C2C(=O)OC(=O)C2=C1

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Specifications

PubChem CID	67044
CAS	118-45-6
Molecular Weight (g/mol)	182.56
MDL Number	MFCD00152354
SMILES	ClC1=CC=C2C(=O)OC(=O)C2=C1
IUPAC Name	5-chloro-1,3-dihydro-2-benzofuran-1,3-dione
InChI Key	BTTRMCQEPDPCPA-UHFFFAOYSA-N
Molecular Formula	C8H3ClO3

5,076

Borane - 2-Methylpyridine Complex 85.0+%, TCI America™

CAS: 3999-38-0 Molecular Formula: C6H10BN Molecular Weight (g/mol): 106.96 MDL Number: MFCD07784361 InChI Key: ZMASBEFBIXMNCP-UHFFFAOYSA-N Synonym: Borane - 2-Picoline Complex, 2-Picoline Borane, 2-Methylpyridine Borane IUPAC Name: 2-methylpyridine borane SMILES: B.CC1=CC=CC=N1

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Specifications

CAS	3999-38-0
Molecular Weight (g/mol)	106.96
MDL Number	MFCD07784361
SMILES	B.CC1=CC=CC=N1
Synonym	Borane - 2-Picoline Complex, 2-Picoline Borane, 2-Methylpyridine Borane
IUPAC Name	2-methylpyridine borane
InChI Key	ZMASBEFBIXMNCP-UHFFFAOYSA-N
Molecular Formula	C6H10BN

5,077

Creatinine 99.0+%, TCI America™

CAS: 60-27-5 Molecular Formula: C4H7N3O Molecular Weight (g/mol): 113.12 MDL Number: MFCD00059730 InChI Key: DDRJAANPRJIHGJ-UHFFFAOYSA-N Synonym: creatinine,2-imino-1-methylimidazolidin-4-one,1-methylglycocyamidine,1-methylhydantoin-2-imide,creatinine,heated,4h-imidazol-4-one, 2-amino-1,5-dihydro-1-methyl,2-amino-1-methylimidazolin-4-one,creatinina,kreatinin,unii-ayi8ex34eu PubChem CID: 588 ChEBI: CHEBI:16737 IUPAC Name: 2-amino-3-methyl-4H-imidazol-5-one SMILES: CN1CC(=O)N=C1N

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Specifications

PubChem CID	588
CAS	60-27-5
Molecular Weight (g/mol)	113.12
ChEBI	CHEBI:16737
MDL Number	MFCD00059730
SMILES	CN1CC(=O)N=C1N
Synonym	creatinine,2-imino-1-methylimidazolidin-4-one,1-methylglycocyamidine,1-methylhydantoin-2-imide,creatinine,heated,4h-imidazol-4-one, 2-amino-1,5-dihydro-1-methyl,2-amino-1-methylimidazolin-4-one,creatinina,kreatinin,unii-ayi8ex34eu
IUPAC Name	2-amino-3-methyl-4H-imidazol-5-one
InChI Key	DDRJAANPRJIHGJ-UHFFFAOYSA-N
Molecular Formula	C4H7N3O

5,078

Itraconazole 98.0+%, TCI America™

CAS: 84625-61-6 Molecular Formula: C35H38Cl2N8O4 Molecular Weight (g/mol): 705.64 MDL Number: MFCD00870168,MFCD00941396 InChI Key: VHVPQPYKVGDNFY-ZPGVKDDISA-N Synonym: itraconazole-d5,itraconazole,oriconazole-d5,triasporin-d5,sporamelt-d5,itrizole-d5,sporanox-d5,+/--4-4-4-4-2r,4s-2,4-dichlorophenyl-2-1h-1,2,4-triazol-1-ylmethyl-1,3-dioxolan-4-yl methoxy phenyl-1-piperazinyl phenyl-2,4-dihydro-2-1-methylpropyl-d5-3h-1,2,4-triazol-3-one,2h5-4-4-4-4-2-1h-1,2,4-triazol-1-yl methyl-2-2,4-dichlorophenyl-1,3-dioxolan-4-yl methoxy phenyl piperazin-1-yl phenyl-1-sec-butyl-1h-1,2,4-triazol-5 4h-one,2-3,3,4,4,4-2 h? butan-2-yl-4-4-4-4-2r,4s-2-2,4-dichlorophenyl-2-1,2,4-triazol-1-ylmethyl-1,3-dioxolan-4-yl methoxy phenyl piperazin-1-yl phenyl-1,2,4-triazol-3-one PubChem CID: 45039617 IUPAC Name: 1-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-4,5-dihydro-1H-1,2,4-triazol-5-one SMILES: CCC(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1

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Specifications

PubChem CID	45039617
CAS	84625-61-6
Molecular Weight (g/mol)	705.64
MDL Number	MFCD00870168,MFCD00941396
SMILES	CCC(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1
Synonym	itraconazole-d5,itraconazole,oriconazole-d5,triasporin-d5,sporamelt-d5,itrizole-d5,sporanox-d5,+/--4-4-4-4-2r,4s-2,4-dichlorophenyl-2-1h-1,2,4-triazol-1-ylmethyl-1,3-dioxolan-4-yl methoxy phenyl-1-piperazinyl phenyl-2,4-dihydro-2-1-methylpropyl-d5-3h-1,2,4-triazol-3-one,2h5-4-4-4-4-2-1h-1,2,4-triazol-1-yl methyl-2-2,4-dichlorophenyl-1,3-dioxolan-4-yl methoxy phenyl piperazin-1-yl phenyl-1-sec-butyl-1h-1,2,4-triazol-5 4h-one,2-3,3,4,4,4-2 h? butan-2-yl-4-4-4-4-2r,4s-2-2,4-dichlorophenyl-2-1,2,4-triazol-1-ylmethyl-1,3-dioxolan-4-yl methoxy phenyl piperazin-1-yl phenyl-1,2,4-triazol-3-one
IUPAC Name	1-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-4,5-dihydro-1H-1,2,4-triazol-5-one
InChI Key	VHVPQPYKVGDNFY-ZPGVKDDISA-N
Molecular Formula	C35H38Cl2N8O4

5,079

Nicotine 95.0+%, TCI America™

CAS: 54-11-5 Molecular Formula: C10H14N2 Molecular Weight (g/mol): 162.236 MDL Number: MFCD00006369 InChI Key: SNICXCGAKADSCV-JTQLQIEISA-N Synonym: nicotine,l-nicotine,--nicotine,s-nicotine,habitrol,s-3-1-methylpyrrolidin-2-yl pyridine,nicoderm,nicotrol,s---nicotine,nicoderm cq PubChem CID: 89594 ChEBI: CHEBI:17688 IUPAC Name: 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine SMILES: CN1CCCC1C2=CN=CC=C2

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Specifications

PubChem CID	89594
CAS	54-11-5
Molecular Weight (g/mol)	162.236
ChEBI	CHEBI:17688
MDL Number	MFCD00006369
SMILES	CN1CCCC1C2=CN=CC=C2
Synonym	nicotine,l-nicotine,--nicotine,s-nicotine,habitrol,s-3-1-methylpyrrolidin-2-yl pyridine,nicoderm,nicotrol,s---nicotine,nicoderm cq
IUPAC Name	3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
InChI Key	SNICXCGAKADSCV-JTQLQIEISA-N
Molecular Formula	C10H14N2

5,080

Theophylline 98.0+%, TCI America™

CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 MDL Number: MFCD00079619 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N Synonym: theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur PubChem CID: 2153 ChEBI: CHEBI:28177 IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2

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Specifications

PubChem CID	2153
CAS	58-55-9
Molecular Weight (g/mol)	180.167
ChEBI	CHEBI:28177
MDL Number	MFCD00079619
SMILES	CN1C2=C(C(=O)N(C1=O)C)NC=N2
Synonym	theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur
IUPAC Name	1,3-dimethyl-7H-purine-2,6-dione
InChI Key	ZFXYFBGIUFBOJW-UHFFFAOYSA-N
Molecular Formula	C7H8N4O2

5,081

Tris(2-phenylpyridinato)iridium(III) (purified by sublimation) 95.0+%, TCI America™

CAS: 94928-86-6 Molecular Formula: C33H24IrN3 Molecular Weight (g/mol): 654.793 MDL Number: MFCD04039766 InChI Key: NSABRUJKERBGOU-UHFFFAOYSA-N Synonym: Ir(ppy)3 PubChem CID: 59117881 IUPAC Name: iridium(3+);2-phenylpyridine SMILES: C1=CC=C([C-]=C1)C2=CC=CC=N2.C1=CC=C([C-]=C1)C2=CC=CC=N2.C1=CC=C([C-]=C1)C2=CC=CC=N2.[Ir+3]

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Specifications

PubChem CID	59117881
CAS	94928-86-6
Molecular Weight (g/mol)	654.793
MDL Number	MFCD04039766
SMILES	C1=CC=C([C-]=C1)C2=CC=CC=N2.C1=CC=C([C-]=C1)C2=CC=CC=N2.C1=CC=C([C-]=C1)C2=CC=CC=N2.[Ir+3]
Synonym	Ir(ppy)3
IUPAC Name	iridium(3+);2-phenylpyridine
InChI Key	NSABRUJKERBGOU-UHFFFAOYSA-N
Molecular Formula	C33H24IrN3

5,082

1,8-Cineole 98.0+%, TCI America™

CAS: 470-82-6 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00167977 InChI Key: WEEGYLXZBRQIMU-UHFFFAOYSA-N Synonym: eucalyptol,cineole,1,8-cineole,1,8-cineol,cajeputol,1,8-epoxy-p-menthane,eucalyptole,zineol,eucapur,terpan PubChem CID: 2758 IUPAC Name: 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane SMILES: CC12CCC(CC1)C(C)(C)O2

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Specifications

PubChem CID	2758
CAS	470-82-6
Molecular Weight (g/mol)	154.25
MDL Number	MFCD00167977
SMILES	CC12CCC(CC1)C(C)(C)O2
Synonym	eucalyptol,cineole,1,8-cineole,1,8-cineol,cajeputol,1,8-epoxy-p-menthane,eucalyptole,zineol,eucapur,terpan
IUPAC Name	1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
InChI Key	WEEGYLXZBRQIMU-UHFFFAOYSA-N
Molecular Formula	C10H18O

5,083

1-Ethyl-3-methylimidazolium Ethyl Sulfate 98.0+%, TCI America™

CAS: 342573-75-5 Molecular Formula: C8H16N2O4S Molecular Weight (g/mol): 236.286 InChI Key: VRFOKYHDLYBVAL-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium ethyl sulfate,1-ethyl-3-methylimidazolium ethylsulfate,1-ethyl-3-methyl-1h-imidazol-3-ium ethyl sulfate,basionics™ lq 01,dsstox_cid_29130,dsstox_rid_83349,dsstox_gsid_49274,ksc221o0f,1h-imidazolium, 3-ethyl-1-methyl-, ethyl sulfate 1:1,1-ethyl-3-me-thylimidazolium ethylsulfate PubChem CID: 12095229 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;ethyl sulfate SMILES: CCN1C=C[N+](=C1)C.CCOS(=O)(=O)[O-]

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Specifications

PubChem CID	12095229
CAS	342573-75-5
Molecular Weight (g/mol)	236.286
SMILES	CCN1C=C[N+](=C1)C.CCOS(=O)(=O)[O-]
Synonym	1-ethyl-3-methylimidazolium ethyl sulfate,1-ethyl-3-methylimidazolium ethylsulfate,1-ethyl-3-methyl-1h-imidazol-3-ium ethyl sulfate,basionics™ lq 01,dsstox_cid_29130,dsstox_rid_83349,dsstox_gsid_49274,ksc221o0f,1h-imidazolium, 3-ethyl-1-methyl-, ethyl sulfate 1:1,1-ethyl-3-me-thylimidazolium ethylsulfate
IUPAC Name	1-ethyl-3-methylimidazol-3-ium;ethyl sulfate
InChI Key	VRFOKYHDLYBVAL-UHFFFAOYSA-M
Molecular Formula	C8H16N2O4S

5,084

2,4-Dichloropyridine 98.0+%, TCI America™

CAS: 26452-80-2 Molecular Formula: C5H3Cl2N Molecular Weight (g/mol): 147.986 MDL Number: MFCD00955618 InChI Key: TYPVHTOETJVYIV-UHFFFAOYSA-N Synonym: pyridine, 2,4-dichloro,2,4-dichloro pyridine,2,4-dichoropyridine,2, 4-dichloropyridine,2,4-dichloro-pyridine,2,4-dichlorpyridin,2,4-dichlorpyridine,2,4-dichloropyrdine,pubchem3531,acmc-1cnvt PubChem CID: 33515 IUPAC Name: 2,4-dichloropyridine SMILES: C1=CN=C(C=C1Cl)Cl

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Specifications

PubChem CID	33515
CAS	26452-80-2
Molecular Weight (g/mol)	147.986
MDL Number	MFCD00955618
SMILES	C1=CN=C(C=C1Cl)Cl
Synonym	pyridine, 2,4-dichloro,2,4-dichloro pyridine,2,4-dichoropyridine,2, 4-dichloropyridine,2,4-dichloro-pyridine,2,4-dichlorpyridin,2,4-dichlorpyridine,2,4-dichloropyrdine,pubchem3531,acmc-1cnvt
IUPAC Name	2,4-dichloropyridine
InChI Key	TYPVHTOETJVYIV-UHFFFAOYSA-N
Molecular Formula	C5H3Cl2N

5,085

Bis(pinacolato)diboron 99.0+%, TCI America™

CAS: 73183-34-3 Molecular Formula: C12H24B2O4 Molecular Weight (g/mol): 253.94 MDL Number: MFCD00799570 InChI Key: IPWKHHSGDUIRAH-UHFFFAOYSA-N Synonym: bis pinacolato diboron,bis pinacolato diborane,4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi 1,3,2-dioxaborolane,pinacol diborane,diboron pinacol ester,b2pin2,4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-tetramethyl-1,3,2-dioxaborolan-2-yl-1,3,2-dioxaborolane,bispinacolate diboron,unii-i906w26p4u PubChem CID: 2733548 IUPAC Name: 4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)B1OC(C)(C)C(C)(C)O1

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Specifications

PubChem CID	2733548
CAS	73183-34-3
Molecular Weight (g/mol)	253.94
MDL Number	MFCD00799570
SMILES	CC1(C)OB(OC1(C)C)B1OC(C)(C)C(C)(C)O1
Synonym	bis pinacolato diboron,bis pinacolato diborane,4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi 1,3,2-dioxaborolane,pinacol diborane,diboron pinacol ester,b2pin2,4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-tetramethyl-1,3,2-dioxaborolan-2-yl-1,3,2-dioxaborolane,bispinacolate diboron,unii-i906w26p4u
IUPAC Name	4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
InChI Key	IPWKHHSGDUIRAH-UHFFFAOYSA-N
Molecular Formula	C12H24B2O4

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