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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4,006 – 4,020 of 201,708 results

4,006

Ethylene chlorophosphite, 97%

CAS: 822-39-9 Molecular Formula: C2H4ClO2P Molecular Weight (g/mol): 126.476 MDL Number: MFCD00014511 InChI Key: OLSFRDLMFAOSIA-UHFFFAOYSA-N PubChem CID: 69973 IUPAC Name: 2-chloro-1,3,2-dioxaphospholane SMILES: C1COP(O1)Cl

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PubChem CID	69973
CAS	822-39-9
Molecular Weight (g/mol)	126.476
MDL Number	MFCD00014511
SMILES	C1COP(O1)Cl
IUPAC Name	2-chloro-1,3,2-dioxaphospholane
InChI Key	OLSFRDLMFAOSIA-UHFFFAOYSA-N
Molecular Formula	C2H4ClO2P

4,007

5,7-Dibromo-8-hydroxyquinoline, MP Biomedicals

CAS: 521-74-4 Molecular Formula: C9H5Br2NO Molecular Weight (g/mol): 302.953 InChI Key: ZDASUJMDVPTNTF-UHFFFAOYSA-N Synonym: broxyquinoline,5,7-dibromo-8-hydroxyquinoline,5,7-dibromo-8-quinolinol,broxyquinolin,dibromoxin,dibromoxine,dibromoxyquinoline,broxiquinoline,dibromoquin,broxykinolin PubChem CID: 2453 IUPAC Name: 5,7-dibromoquinolin-8-ol SMILES: C1=CC2=C(C(=C(C=C2Br)Br)O)N=C1

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Specifications

PubChem CID	2453
CAS	521-74-4
Molecular Weight (g/mol)	302.953
SMILES	C1=CC2=C(C(=C(C=C2Br)Br)O)N=C1
Synonym	broxyquinoline,5,7-dibromo-8-hydroxyquinoline,5,7-dibromo-8-quinolinol,broxyquinolin,dibromoxin,dibromoxine,dibromoxyquinoline,broxiquinoline,dibromoquin,broxykinolin
IUPAC Name	5,7-dibromoquinolin-8-ol
InChI Key	ZDASUJMDVPTNTF-UHFFFAOYSA-N
Molecular Formula	C9H5Br2NO

4,008

4-Amino-3-iodopyridine, 97%

CAS: 88511-27-7 Molecular Formula: C5H5IN2 Molecular Weight (g/mol): 220.013 MDL Number: MFCD02663853 InChI Key: ZGOCEDVVZKFHSY-UHFFFAOYSA-N Synonym: 4-amino-3-iodopyridine,3-iodo-4-aminopyridine,3-iodopyridin-4-ylamine,3-iodo-pyridin-4-ylamine,3-iodo-4-pyridylamine,4-pyridinamine, 3-iodo,pubchem6632,3-iodo-4-pyridineamine,4-amino-3-iodo-pyridin,acmc-20a09a PubChem CID: 1516510 IUPAC Name: 3-iodopyridin-4-amine SMILES: C1=CN=CC(=C1N)I

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PubChem CID	1516510
CAS	88511-27-7
Molecular Weight (g/mol)	220.013
MDL Number	MFCD02663853
SMILES	C1=CN=CC(=C1N)I
Synonym	4-amino-3-iodopyridine,3-iodo-4-aminopyridine,3-iodopyridin-4-ylamine,3-iodo-pyridin-4-ylamine,3-iodo-4-pyridylamine,4-pyridinamine, 3-iodo,pubchem6632,3-iodo-4-pyridineamine,4-amino-3-iodo-pyridin,acmc-20a09a
IUPAC Name	3-iodopyridin-4-amine
InChI Key	ZGOCEDVVZKFHSY-UHFFFAOYSA-N
Molecular Formula	C5H5IN2

4,009

3-(2-Furyl)acrolein, 99%

CAS: 623-30-3 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.123 MDL Number: MFCD00003256 InChI Key: VZIRCHXYMBFNFD-HNQUOIGGSA-N Synonym: 3-2-furyl acrolein,2-furanacrolein,e-3-furan-2-yl acrylaldehyde,3-furan-2-yl acrylaldehyde,2-propenal, 3-2-furanyl,trans-3-2-furyl acrolein,beta-2-furylacrolein,3-2-furyl acrylaldehyde,unii-ssq86u3drp,furyl acrolein PubChem CID: 1549521 IUPAC Name: (E)-3-(furan-2-yl)prop-2-enal SMILES: C1=COC(=C1)C=CC=O

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Specifications

PubChem CID	1549521
CAS	623-30-3
Molecular Weight (g/mol)	122.123
MDL Number	MFCD00003256
SMILES	C1=COC(=C1)C=CC=O
Synonym	3-2-furyl acrolein,2-furanacrolein,e-3-furan-2-yl acrylaldehyde,3-furan-2-yl acrylaldehyde,2-propenal, 3-2-furanyl,trans-3-2-furyl acrolein,beta-2-furylacrolein,3-2-furyl acrylaldehyde,unii-ssq86u3drp,furyl acrolein
IUPAC Name	(E)-3-(furan-2-yl)prop-2-enal
InChI Key	VZIRCHXYMBFNFD-HNQUOIGGSA-N
Molecular Formula	C7H6O2

4,010

[3-(1H-Pyrrol-1-yl)phenyl]methanol, 97%, Thermo Scientific™

CAS: 83140-94-7 Molecular Formula: C11H11NO Molecular Weight (g/mol): 173.215 MDL Number: MFCD03086142 InChI Key: QQXDXYAGEXWXQU-UHFFFAOYSA-N Synonym: 3-1h-pyrrol-1-yl phenyl methanol,3-pyrrol-1-yl phenyl methanol,3-1-pyrrolyl benzyl alcohol,3-pyrrol-1-ylphenyl methanol,3-pyrrolylphenyl methan-1-ol,3-pyrrol-1-yl phenylmethanol,3-1h-pyrrol-1-yl phenylmethanol,benzenemethanol, 3-1h-pyrrol-1-yl PubChem CID: 2776531 IUPAC Name: (3-pyrrol-1-ylphenyl)methanol SMILES: C1=CN(C=C1)C2=CC=CC(=C2)CO

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PubChem CID	2776531
CAS	83140-94-7
Molecular Weight (g/mol)	173.215
MDL Number	MFCD03086142
SMILES	C1=CN(C=C1)C2=CC=CC(=C2)CO
Synonym	3-1h-pyrrol-1-yl phenyl methanol,3-pyrrol-1-yl phenyl methanol,3-1-pyrrolyl benzyl alcohol,3-pyrrol-1-ylphenyl methanol,3-pyrrolylphenyl methan-1-ol,3-pyrrol-1-yl phenylmethanol,3-1h-pyrrol-1-yl phenylmethanol,benzenemethanol, 3-1h-pyrrol-1-yl
IUPAC Name	(3-pyrrol-1-ylphenyl)methanol
InChI Key	QQXDXYAGEXWXQU-UHFFFAOYSA-N
Molecular Formula	C11H11NO

4,011

tert-Butyl 4-(3-aminobenzyl)piperazine-1-carboxylate, 97%, Thermo Scientific™

CAS: 361345-40-6 Molecular Formula: C16H25N3O2 Molecular Weight (g/mol): 291.395 InChI Key: VKSINZNBWVJILC-UHFFFAOYSA-N Synonym: tert-butyl 4-3-aminobenzyl piperazine-1-carboxylate,1-boc-4-3-aminobenzyl piperazine,3-4-boc-piperazin-1-yl-methyl aniline,tert-butyl 4-3-aminophenyl methyl piperazine-1-carboxylate,3-1-boc-piperazin-4-yl-methyl-aniline,tert-butyl 4-3-aminophenyl methyl piperazinecarboxylate,4-3-amino-benzyl-piperazine-1-carboxylic acid tert-butyl ester,pubchem12209,acmc-1ah36,4-3-aminobenzyl piperazine, n1-boc protected PubChem CID: 7127799 IUPAC Name: tert-butyl 4-[(3-aminophenyl)methyl]piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=CC=C2)N

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Specifications

PubChem CID	7127799
CAS	361345-40-6
Molecular Weight (g/mol)	291.395
SMILES	CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=CC=C2)N
Synonym	tert-butyl 4-3-aminobenzyl piperazine-1-carboxylate,1-boc-4-3-aminobenzyl piperazine,3-4-boc-piperazin-1-yl-methyl aniline,tert-butyl 4-3-aminophenyl methyl piperazine-1-carboxylate,3-1-boc-piperazin-4-yl-methyl-aniline,tert-butyl 4-3-aminophenyl methyl piperazinecarboxylate,4-3-amino-benzyl-piperazine-1-carboxylic acid tert-butyl ester,pubchem12209,acmc-1ah36,4-3-aminobenzyl piperazine, n1-boc protected
IUPAC Name	tert-butyl 4-[(3-aminophenyl)methyl]piperazine-1-carboxylate
InChI Key	VKSINZNBWVJILC-UHFFFAOYSA-N
Molecular Formula	C16H25N3O2

4,012

3-Mercapto-1,2,4-triazole, 98%

CAS: 3179-31-5 Molecular Formula: C2H3N3S Molecular Weight (g/mol): 101.13 MDL Number: MFCD00005229 InChI Key: AFBBKYQYNPNMAT-UHFFFAOYSA-N Synonym: 1h-1,2,4-triazole-3-thiol,3-mercapto-1,2,4-triazole,1,2,4-triazole-3-thiol,mercaptotriazole,4h-1,2,4-triazole-3-thiol,s-triazole-3-thiol,3-mercapto-1h-1,2,4-triazole,1,2,4-triazole-5-thiol,1,3,4-triazine-2-thiol,1,3,4-triazole-2-thiol PubChem CID: 2723802 SMILES: S=C1NNC=N1

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PubChem CID	2723802
CAS	3179-31-5
Molecular Weight (g/mol)	101.13
MDL Number	MFCD00005229
SMILES	S=C1NNC=N1
Synonym	1h-1,2,4-triazole-3-thiol,3-mercapto-1,2,4-triazole,1,2,4-triazole-3-thiol,mercaptotriazole,4h-1,2,4-triazole-3-thiol,s-triazole-3-thiol,3-mercapto-1h-1,2,4-triazole,1,2,4-triazole-5-thiol,1,3,4-triazine-2-thiol,1,3,4-triazole-2-thiol
InChI Key	AFBBKYQYNPNMAT-UHFFFAOYSA-N
Molecular Formula	C2H3N3S

4,013

3-(1H-Pyrrol-1-yl)benzaldehyde, 95+%, Thermo Scientific™

CAS: 129747-77-9 Molecular Formula: C11H9NO Molecular Weight (g/mol): 171.20 MDL Number: MFCD03086140 InChI Key: PALTUANHIBXQMX-UHFFFAOYSA-N PubChem CID: 2776528 IUPAC Name: 3-pyrrol-1-ylbenzaldehyde SMILES: O=CC1=CC(=CC=C1)N1C=CC=C1

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Specifications

PubChem CID	2776528
CAS	129747-77-9
Molecular Weight (g/mol)	171.20
MDL Number	MFCD03086140
SMILES	O=CC1=CC(=CC=C1)N1C=CC=C1
IUPAC Name	3-pyrrol-1-ylbenzaldehyde
InChI Key	PALTUANHIBXQMX-UHFFFAOYSA-N
Molecular Formula	C11H9NO

4,014

Tetrahydropyran-4-sulfonyl chloride, 97%

CAS: 338453-21-7 Molecular Formula: C₅H₉ClO₃S Molecular Weight (g/mol): 184.64 InChI Key: QQSBPTQNEOJFBO-UHFFFAOYSA-N Synonym: tetrahydro-2h-pyran-4-sulfonyl chloride,tetrahydropyran-4-sulfonyl chloride,tetrahydro-pyran-4-sulfonyl chloride,2h-pyran-4-sulfonylchloride, tetrahydro,tetrahydropyran-4-sulfonylchloride,tetrahydropyran-4-sulphonyl chloride,2h-pyran-4-sulfonylchloride,tetrahydro,n-5-bromo-2-methoxybenzyl cyclohexanamine hydrobromide PubChem CID: 22637030 IUPAC Name: oxane-4-sulfonyl chloride SMILES: C1COCCC1S(=O)(=O)Cl

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Specifications

PubChem CID	22637030
CAS	338453-21-7
Molecular Weight (g/mol)	184.64
SMILES	C1COCCC1S(=O)(=O)Cl
Synonym	tetrahydro-2h-pyran-4-sulfonyl chloride,tetrahydropyran-4-sulfonyl chloride,tetrahydro-pyran-4-sulfonyl chloride,2h-pyran-4-sulfonylchloride, tetrahydro,tetrahydropyran-4-sulfonylchloride,tetrahydropyran-4-sulphonyl chloride,2h-pyran-4-sulfonylchloride,tetrahydro,n-5-bromo-2-methoxybenzyl cyclohexanamine hydrobromide
IUPAC Name	oxane-4-sulfonyl chloride
InChI Key	QQSBPTQNEOJFBO-UHFFFAOYSA-N
Molecular Formula	C₅H₉ClO₃S

4,015

2-Fluoroadenine, 97%

CAS: 700-49-2 Molecular Formula: C5H4FN5 Molecular Weight (g/mol): 153.12 MDL Number: MFCD01632749 InChI Key: WKMPTBDYDNUJLF-UHFFFAOYSA-N Synonym: 2-fluoroadenine,2-fluoro-6-aminopurine,2-fluoro-1h-purin-6-amine,2-fad,2-fluoro-9h-purin-6-amine,6-amino-2-fluoropurine,2-fluoro-7 9 h-purin-6-ylamine,purine, 6-amino-2-fluoro,fluoroadenine,1h-purin-6-amine, 2-fluoro PubChem CID: 12790 ChEBI: CHEBI:72457 IUPAC Name: 2-fluoro-7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC(F)=N1

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Specifications

PubChem CID	12790
CAS	700-49-2
Molecular Weight (g/mol)	153.12
ChEBI	CHEBI:72457
MDL Number	MFCD01632749
SMILES	NC1=C2NC=NC2=NC(F)=N1
Synonym	2-fluoroadenine,2-fluoro-6-aminopurine,2-fluoro-1h-purin-6-amine,2-fad,2-fluoro-9h-purin-6-amine,6-amino-2-fluoropurine,2-fluoro-7 9 h-purin-6-ylamine,purine, 6-amino-2-fluoro,fluoroadenine,1h-purin-6-amine, 2-fluoro
IUPAC Name	2-fluoro-7H-purin-6-amine
InChI Key	WKMPTBDYDNUJLF-UHFFFAOYSA-N
Molecular Formula	C5H4FN5

4,016

1,5-Anhydro-D-sorbitol, 97%

CAS: 154-58-5 Molecular Formula: C₆H₁₂O₅ Molecular Weight (g/mol): 164.16 InChI Key: MPCAJMNYNOGXPB-SLPGGIOYSA-N Synonym: 1,5-anhydro-d-glucitol,1,5-anhydroglucitol,1,5-anhydrosorbitol,1,5-anhydro-d-sorbitol,1-deoxy-d-glucopyranose,aceritol,1-deoxy-d-glucose,d-glucitol, 1,5-anhydro,unii-54bb3b7xmz,glucitol, 1,5-anhydro PubChem CID: 64960 ChEBI: CHEBI:16070 IUPAC Name: (2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol SMILES: C1C(C(C(C(O1)CO)O)O)O

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Specifications

PubChem CID	64960
CAS	154-58-5
Molecular Weight (g/mol)	164.16
ChEBI	CHEBI:16070
SMILES	C1C(C(C(C(O1)CO)O)O)O
Synonym	1,5-anhydro-d-glucitol,1,5-anhydroglucitol,1,5-anhydrosorbitol,1,5-anhydro-d-sorbitol,1-deoxy-d-glucopyranose,aceritol,1-deoxy-d-glucose,d-glucitol, 1,5-anhydro,unii-54bb3b7xmz,glucitol, 1,5-anhydro
IUPAC Name	(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol
InChI Key	MPCAJMNYNOGXPB-SLPGGIOYSA-N
Molecular Formula	C₆H₁₂O₅

4,017

5-(Trifluoromethyl)-1H-indazole, 97%, Thermo Scientific™

CAS: 885271-64-7 Molecular Formula: C8H5F3N2 Molecular Weight (g/mol): 186.137 InChI Key: WBHMPANPIGWXQV-UHFFFAOYSA-N Synonym: 5-trifluoromethyl-1h-indazole,1h-indazole,5-trifluoromethyl PubChem CID: 21409222 IUPAC Name: 5-(trifluoromethyl)-1H-indazole SMILES: C1=CC2=C(C=C1C(F)(F)F)C=NN2

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Specifications

PubChem CID	21409222
CAS	885271-64-7
Molecular Weight (g/mol)	186.137
SMILES	C1=CC2=C(C=C1C(F)(F)F)C=NN2
Synonym	5-trifluoromethyl-1h-indazole,1h-indazole,5-trifluoromethyl
IUPAC Name	5-(trifluoromethyl)-1H-indazole
InChI Key	WBHMPANPIGWXQV-UHFFFAOYSA-N
Molecular Formula	C8H5F3N2

4,018

2-Bromobenzo[b]thiophene, ≥97%, Thermo Scientific™

CAS: 5394-13-8 Molecular Formula: C8H5BrS Molecular Weight (g/mol): 213.092 MDL Number: MFCD08435846 InChI Key: WIFMYMXKTAVDSQ-UHFFFAOYSA-N Synonym: 2-bromobenzo b thiophene,benzo b thiophene, 2-bromo,2-bromobenzothiophene,bromobenzothiophene,2-bromobenzthiophene,bromobenzo b thiophene,2-bromo-benzo b thiophene,2-bromobenzo b-thiophene PubChem CID: 94786 IUPAC Name: 2-bromo-1-benzothiophene SMILES: C1=CC=C2C(=C1)C=C(S2)Br

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Specifications

PubChem CID	94786
CAS	5394-13-8
Molecular Weight (g/mol)	213.092
MDL Number	MFCD08435846
SMILES	C1=CC=C2C(=C1)C=C(S2)Br
Synonym	2-bromobenzo b thiophene,benzo b thiophene, 2-bromo,2-bromobenzothiophene,bromobenzothiophene,2-bromobenzthiophene,bromobenzo b thiophene,2-bromo-benzo b thiophene,2-bromobenzo b-thiophene
IUPAC Name	2-bromo-1-benzothiophene
InChI Key	WIFMYMXKTAVDSQ-UHFFFAOYSA-N
Molecular Formula	C8H5BrS

4,019

6-Fluoropyridine-2-carboxylic acid, 97%

CAS: 402-69-7 Molecular Formula: C6H4FNO2 Molecular Weight (g/mol): 141.10 MDL Number: MFCD02181193 InChI Key: DIEMCUFYSOEIDU-UHFFFAOYSA-N Synonym: 6-fluoropicolinic acid,2-fluoropyridine-6-carboxylic acid,6-fluoro-2-pyridinecarboxylic acid,2-fluoro-6-pyridinecarboxylic acid,2-fluoro-6-carboxypyridine,6-fluoro-pyridine-2-carboxylic acid,2-pyridinecarboxylic acid, 6-fluoro,6-fluor-2-pyridincarbons,pubchem13570,6-fluoro picolinic acid PubChem CID: 226027 IUPAC Name: 6-fluoropyridine-2-carboxylic acid SMILES: OC(=O)C1=CC=CC(F)=N1

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Specifications

PubChem CID	226027
CAS	402-69-7
Molecular Weight (g/mol)	141.10
MDL Number	MFCD02181193
SMILES	OC(=O)C1=CC=CC(F)=N1
Synonym	6-fluoropicolinic acid,2-fluoropyridine-6-carboxylic acid,6-fluoro-2-pyridinecarboxylic acid,2-fluoro-6-pyridinecarboxylic acid,2-fluoro-6-carboxypyridine,6-fluoro-pyridine-2-carboxylic acid,2-pyridinecarboxylic acid, 6-fluoro,6-fluor-2-pyridincarbons,pubchem13570,6-fluoro picolinic acid
IUPAC Name	6-fluoropyridine-2-carboxylic acid
InChI Key	DIEMCUFYSOEIDU-UHFFFAOYSA-N
Molecular Formula	C6H4FNO2

4,020

5-Bromo-2-methoxypyrimidine, 97%

CAS: 14001-66-2 Molecular Formula: C₅H₅BrN₂O Molecular Weight (g/mol): 189.01 InChI Key: DWVCZDMMGYIULX-UHFFFAOYSA-N Synonym: 2-methoxy-5-bromopyrimidine,pyrimidine, 5-bromo-2-methoxy,5-bromo-2-methoxy-pyrimidine,5-bromo-2-methoxy-1,3-diazine,5-bromopyrimidin-2-yl methyl ether,5-bromo-2-methyloxy pyrimidine,pubchem5264,acmc-209cjt,5-bromo-2methoxypyrimidine,ksc494g8n PubChem CID: 139657 IUPAC Name: 5-bromo-2-methoxypyrimidine SMILES: COC1=NC=C(C=N1)Br

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Specifications

PubChem CID	139657
CAS	14001-66-2
Molecular Weight (g/mol)	189.01
SMILES	COC1=NC=C(C=N1)Br
Synonym	2-methoxy-5-bromopyrimidine,pyrimidine, 5-bromo-2-methoxy,5-bromo-2-methoxy-pyrimidine,5-bromo-2-methoxy-1,3-diazine,5-bromopyrimidin-2-yl methyl ether,5-bromo-2-methyloxy pyrimidine,pubchem5264,acmc-209cjt,5-bromo-2methoxypyrimidine,ksc494g8n
IUPAC Name	5-bromo-2-methoxypyrimidine
InChI Key	DWVCZDMMGYIULX-UHFFFAOYSA-N
Molecular Formula	C₅H₅BrN₂O

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