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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).
Pyridines and derivatives (297)
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1

4-Methylthiazole, 99%

CAS: 693-95-8 Molecular Formula: C4H5NS Molecular Weight (g/mol): 99.15 MDL Number: MFCD00005340 InChI Key: QMHIMXFNBOYPND-UHFFFAOYSA-N Synonym: 4-methylthiazole,thiazole, 4-methyl,4-methyl thiazole,4-methyl-thiazole,fema no. 3716,4-methyl-5h-1,3-thiazole,4-methyithiazole,methylthiazole, 4,pubchem23683 PubChem CID: 12748 ChEBI: CHEBI:35626 IUPAC Name: 4-methyl-1,3-thiazole SMILES: CC1=CSC=N1

PubChem CID 12748
CAS 693-95-8
Molecular Weight (g/mol) 99.15
ChEBI CHEBI:35626
MDL Number MFCD00005340
SMILES CC1=CSC=N1
Synonym 4-methylthiazole,thiazole, 4-methyl,4-methyl thiazole,4-methyl-thiazole,fema no. 3716,4-methyl-5h-1,3-thiazole,4-methyithiazole,methylthiazole, 4,pubchem23683
IUPAC Name 4-methyl-1,3-thiazole
InChI Key QMHIMXFNBOYPND-UHFFFAOYSA-N
Molecular Formula C4H5NS
2

5-Phenyl-1,3,4-thiadiazole-2-thiol, 96%

CAS: 5585-19-3 Molecular Formula: C8H6N2S2 Molecular Weight (g/mol): 194.27 MDL Number: MFCD01681863 InChI Key: ZTLMHGOWADYAHM-UHFFFAOYSA-N Synonym: 5-phenyl-1,3,4-thiadiazole-2-thiol,1,3,4-thiadiazole-2-thiol, 5-phenyl,5-phenyl-1,3,4-thiadiazole-2 3h-thione,2-mercapto-5-fenil-1,3,4-tiadiazolo italian,2-mercapto-5-phenyl-1,3,4-thiadiazole,2-mercapto-5-fenil-1,3,4-tiadiazolo,d0n3dw,5-phenyl-1,3,4-thiadiazol-2-thiol,5-phenyl-1,3,4-thiadiazol-2-yl hydrosulfide PubChem CID: 3035373 IUPAC Name: 5-phenyl-3H-1,3,4-thiadiazole-2-thione SMILES: S=C1NN=C(S1)C1=CC=CC=C1

PubChem CID 3035373
CAS 5585-19-3
Molecular Weight (g/mol) 194.27
MDL Number MFCD01681863
SMILES S=C1NN=C(S1)C1=CC=CC=C1
Synonym 5-phenyl-1,3,4-thiadiazole-2-thiol,1,3,4-thiadiazole-2-thiol, 5-phenyl,5-phenyl-1,3,4-thiadiazole-2 3h-thione,2-mercapto-5-fenil-1,3,4-tiadiazolo italian,2-mercapto-5-phenyl-1,3,4-thiadiazole,2-mercapto-5-fenil-1,3,4-tiadiazolo,d0n3dw,5-phenyl-1,3,4-thiadiazol-2-thiol,5-phenyl-1,3,4-thiadiazol-2-yl hydrosulfide
IUPAC Name 5-phenyl-3H-1,3,4-thiadiazole-2-thione
InChI Key ZTLMHGOWADYAHM-UHFFFAOYSA-N
Molecular Formula C8H6N2S2
3

2,4,5-Trimethyloxazole, 97%

CAS: 20662-84-4 Molecular Formula: C6H9NO Molecular Weight (g/mol): 111.144 MDL Number: MFCD00005308 InChI Key: ZRLDBDZSLLGDOX-UHFFFAOYSA-N Synonym: 2,4,5-trimethyloxazole,trimethyloxazole,oxazole, trimethyl,unii-b04pf51wxi,2,4,5-trimethyl oxazole,trimethyl-1,3-oxazole,b04pf51wxi,oxazole, 2,4,5-trimethyl,trimethyl-oxazole,pubchem8636 PubChem CID: 30215 IUPAC Name: 2,4,5-trimethyl-1,3-oxazole SMILES: CC1=C(OC(=N1)C)C

PubChem CID 30215
CAS 20662-84-4
Molecular Weight (g/mol) 111.144
MDL Number MFCD00005308
SMILES CC1=C(OC(=N1)C)C
Synonym 2,4,5-trimethyloxazole,trimethyloxazole,oxazole, trimethyl,unii-b04pf51wxi,2,4,5-trimethyl oxazole,trimethyl-1,3-oxazole,b04pf51wxi,oxazole, 2,4,5-trimethyl,trimethyl-oxazole,pubchem8636
IUPAC Name 2,4,5-trimethyl-1,3-oxazole
InChI Key ZRLDBDZSLLGDOX-UHFFFAOYSA-N
Molecular Formula C6H9NO
4

Methyl tetrahydro-4-oxo-2H-thiopyran-3-carboxylate, 95%

CAS: 4160-61-6 Molecular Formula: C7H10O3S Molecular Weight (g/mol): 174.22 InChI Key: MCUXKFHPGMEIIW-UHFFFAOYSA-N Synonym: methyl 4-oxotetrahydro-2h-thiopyran-3-carboxylate,methyl tetrahydro-4-oxo-2h-thiopyran-3-carboxylate,methyl 4-oxotetrahydrothiopyran-3-carboxylate,2h-thiopyran-3-carboxylic acid, tetrahydro-4-oxo-, methyl ester,methyl4-oxotetrahydro-2h-thiopyran-3-carboxylate,methyl-4-oxotetrahydro-2h-thiopyran-3-carboxylate,2,3,5,6-tetrahydro-3-carbomethoxythiopyran-4-one,4-oxotetrahydro-2h-thiopyran-3-carbonsauremethylester,4-oxotetrahydro-2h-thiopyran-3-carboxylic acid methyl ester,4-oxo-tetrahydro-thiopyran-3-carboxylic acid methyl ester PubChem CID: 10374916 IUPAC Name: methyl 4-oxothiane-3-carboxylate SMILES: COC(=O)C1CSCCC1=O

PubChem CID 10374916
CAS 4160-61-6
Molecular Weight (g/mol) 174.22
SMILES COC(=O)C1CSCCC1=O
Synonym methyl 4-oxotetrahydro-2h-thiopyran-3-carboxylate,methyl tetrahydro-4-oxo-2h-thiopyran-3-carboxylate,methyl 4-oxotetrahydrothiopyran-3-carboxylate,2h-thiopyran-3-carboxylic acid, tetrahydro-4-oxo-, methyl ester,methyl4-oxotetrahydro-2h-thiopyran-3-carboxylate,methyl-4-oxotetrahydro-2h-thiopyran-3-carboxylate,2,3,5,6-tetrahydro-3-carbomethoxythiopyran-4-one,4-oxotetrahydro-2h-thiopyran-3-carbonsauremethylester,4-oxotetrahydro-2h-thiopyran-3-carboxylic acid methyl ester,4-oxo-tetrahydro-thiopyran-3-carboxylic acid methyl ester
IUPAC Name methyl 4-oxothiane-3-carboxylate
InChI Key MCUXKFHPGMEIIW-UHFFFAOYSA-N
Molecular Formula C7H10O3S
5

2,5-Dimethylthiophene, 98.5%

CAS: 638-02-8 Molecular Formula: C6H8S Molecular Weight (g/mol): 112.19 MDL Number: MFCD00005452 InChI Key: GWQOOADXMVQEFT-UHFFFAOYSA-N PubChem CID: 12514 IUPAC Name: 2,5-dimethylthiophene SMILES: CC1=CC=C(S1)C

PubChem CID 12514
CAS 638-02-8
Molecular Weight (g/mol) 112.19
MDL Number MFCD00005452
SMILES CC1=CC=C(S1)C
IUPAC Name 2,5-dimethylthiophene
InChI Key GWQOOADXMVQEFT-UHFFFAOYSA-N
Molecular Formula C6H8S
6

2,4,5-Trimethyloxazole 98.0+%, TCI America™

CAS: 20662-84-4 Molecular Formula: C6H9NO Molecular Weight (g/mol): 111.144 MDL Number: MFCD00005308 InChI Key: ZRLDBDZSLLGDOX-UHFFFAOYSA-N Synonym: 2,4,5-trimethyloxazole,trimethyloxazole,oxazole, trimethyl,unii-b04pf51wxi,2,4,5-trimethyl oxazole,trimethyl-1,3-oxazole,b04pf51wxi,oxazole, 2,4,5-trimethyl,trimethyl-oxazole,pubchem8636 PubChem CID: 30215 IUPAC Name: 2,4,5-trimethyl-1,3-oxazole SMILES: CC1=C(OC(=N1)C)C

PubChem CID 30215
CAS 20662-84-4
Molecular Weight (g/mol) 111.144
MDL Number MFCD00005308
SMILES CC1=C(OC(=N1)C)C
Synonym 2,4,5-trimethyloxazole,trimethyloxazole,oxazole, trimethyl,unii-b04pf51wxi,2,4,5-trimethyl oxazole,trimethyl-1,3-oxazole,b04pf51wxi,oxazole, 2,4,5-trimethyl,trimethyl-oxazole,pubchem8636
IUPAC Name 2,4,5-trimethyl-1,3-oxazole
InChI Key ZRLDBDZSLLGDOX-UHFFFAOYSA-N
Molecular Formula C6H9NO
7

4-Methylthiazole 98.0+%, TCI America™

CAS: 693-95-8 Molecular Formula: C4H5NS Molecular Weight (g/mol): 99.15 MDL Number: MFCD00005340 InChI Key: QMHIMXFNBOYPND-UHFFFAOYSA-N Synonym: 4-methylthiazole,thiazole, 4-methyl,4-methyl thiazole,4-methyl-thiazole,fema no. 3716,4-methyl-5h-1,3-thiazole,4-methyithiazole,methylthiazole, 4,pubchem23683 PubChem CID: 12748 ChEBI: CHEBI:35626 IUPAC Name: 4-methyl-1,3-thiazole SMILES: CC1=CSC=N1

PubChem CID 12748
CAS 693-95-8
Molecular Weight (g/mol) 99.15
ChEBI CHEBI:35626
MDL Number MFCD00005340
SMILES CC1=CSC=N1
Synonym 4-methylthiazole,thiazole, 4-methyl,4-methyl thiazole,4-methyl-thiazole,fema no. 3716,4-methyl-5h-1,3-thiazole,4-methyithiazole,methylthiazole, 4,pubchem23683
IUPAC Name 4-methyl-1,3-thiazole
InChI Key QMHIMXFNBOYPND-UHFFFAOYSA-N
Molecular Formula C4H5NS
8

Diethyl (1,3-Dithian-2-yl)phosphonate 93.0+%, TCI America™

CAS: 62999-73-9 Molecular Formula: C8H17O3PS2 Molecular Weight (g/mol): 256.315 InChI Key: BGXBJZCFBVTFFP-UHFFFAOYSA-N Synonym: (1,3-Dithian-2-yl)phosphonic Acid Diethyl Ester PubChem CID: 10869064 IUPAC Name: 2-diethoxyphosphoryl-1,3-dithiane SMILES: CCOP(=O)(C1SCCCS1)OCC

PubChem CID 10869064
CAS 62999-73-9
Molecular Weight (g/mol) 256.315
SMILES CCOP(=O)(C1SCCCS1)OCC
Synonym (1,3-Dithian-2-yl)phosphonic Acid Diethyl Ester
IUPAC Name 2-diethoxyphosphoryl-1,3-dithiane
InChI Key BGXBJZCFBVTFFP-UHFFFAOYSA-N
Molecular Formula C8H17O3PS2
9

8-Methylquinoline, 97+%

CAS: 611-32-5 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.19 MDL Number: MFCD00006810 InChI Key: JRLTTZUODKEYDH-UHFFFAOYSA-N Synonym: quinoline, 8-methyl,8-methyl-quinoline,ccris 408,8-methyl,o-toluquinoline,8-metyl quinoline,8-methyl quinoline,pubchem5806,acmc-209mpf,dsstox_cid_888 PubChem CID: 11910 ChEBI: CHEBI:48984 IUPAC Name: 8-methylquinoline SMILES: CC1=C2N=CC=CC2=CC=C1

PubChem CID 11910
CAS 611-32-5
Molecular Weight (g/mol) 143.19
ChEBI CHEBI:48984
MDL Number MFCD00006810
SMILES CC1=C2N=CC=CC2=CC=C1
Synonym quinoline, 8-methyl,8-methyl-quinoline,ccris 408,8-methyl,o-toluquinoline,8-metyl quinoline,8-methyl quinoline,pubchem5806,acmc-209mpf,dsstox_cid_888
IUPAC Name 8-methylquinoline
InChI Key JRLTTZUODKEYDH-UHFFFAOYSA-N
Molecular Formula C10H9N
10

1-Phenylpyrrolidine, 98+%

CAS: 4096-21-3 Molecular Formula: C10H13N Molecular Weight (g/mol): 147.22 MDL Number: MFCD00015897 InChI Key: VDQQJMHXZCMNMU-UHFFFAOYSA-N Synonym: 1-phenyl-pyrrolidine,n-phenylpyrrolidine,phenylpyrrolidine,pyrrolidine, 1-phenyl,1-phenyl-pyrrolidin-3-ol,1-phenylpyrolidine,n-phenyl pyrrolidine,pubchem9192,acmc-1cttc PubChem CID: 77726 IUPAC Name: 1-phenylpyrrolidine SMILES: C1CCN(C1)C1=CC=CC=C1

PubChem CID 77726
CAS 4096-21-3
Molecular Weight (g/mol) 147.22
MDL Number MFCD00015897
SMILES C1CCN(C1)C1=CC=CC=C1
Synonym 1-phenyl-pyrrolidine,n-phenylpyrrolidine,phenylpyrrolidine,pyrrolidine, 1-phenyl,1-phenyl-pyrrolidin-3-ol,1-phenylpyrolidine,n-phenyl pyrrolidine,pubchem9192,acmc-1cttc
IUPAC Name 1-phenylpyrrolidine
InChI Key VDQQJMHXZCMNMU-UHFFFAOYSA-N
Molecular Formula C10H13N
11

1,2-Epoxy-3-methylbutane, 98+%

CAS: 1438-14-8 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.134 MDL Number: MFCD02683501 InChI Key: REYZXWIIUPKFTI-UHFFFAOYSA-N Synonym: 2-isopropyloxirane,1,2-epoxy-3-methylbutane,isopropyloxirane,oxirane, 1-methylethyl,butane, 1,2-epoxy-3-methyl,2-propan-2-yl oxirane,oxirane,2-1-methylethyl,1-methylethyl-oxirane,isopropylethylene oxide,acmc-1asns PubChem CID: 102618 IUPAC Name: 2-propan-2-yloxirane SMILES: CC(C)C1CO1

PubChem CID 102618
CAS 1438-14-8
Molecular Weight (g/mol) 86.134
MDL Number MFCD02683501
SMILES CC(C)C1CO1
Synonym 2-isopropyloxirane,1,2-epoxy-3-methylbutane,isopropyloxirane,oxirane, 1-methylethyl,butane, 1,2-epoxy-3-methyl,2-propan-2-yl oxirane,oxirane,2-1-methylethyl,1-methylethyl-oxirane,isopropylethylene oxide,acmc-1asns
IUPAC Name 2-propan-2-yloxirane
InChI Key REYZXWIIUPKFTI-UHFFFAOYSA-N
Molecular Formula C5H10O
12

2,2,3,3,4,4-Hexafluoropentanedioic Anhydride 97.0+%, TCI America™

CAS: 376-68-1 Molecular Formula: C5F6O3 Molecular Weight (g/mol): 222.042 MDL Number: MFCD00006680 InChI Key: IHYAGCYJVNHXCT-UHFFFAOYSA-N Synonym: hexafluoroglutaric anhydride,perfluoroglutaric anhydride,3,3,4,4,5,5-hexafluorodihydro-2h-pyran-2,6 3h-dione,hexafluoroglutaric acid anhydride,2,2,3,3,4,4-hexafluoropentanedioic anhydride,3,3,4,4,5,5-hexafluoro-3h-4,5-dihydropyran-2,6-dione,hexafluoroglutaricanhydride,acmc-1clz4,hexafluorooxane-2,6-dione PubChem CID: 78995 IUPAC Name: 3,3,4,4,5,5-hexafluorooxane-2,6-dione SMILES: C1(=O)C(C(C(C(=O)O1)(F)F)(F)F)(F)F

PubChem CID 78995
CAS 376-68-1
Molecular Weight (g/mol) 222.042
MDL Number MFCD00006680
SMILES C1(=O)C(C(C(C(=O)O1)(F)F)(F)F)(F)F
Synonym hexafluoroglutaric anhydride,perfluoroglutaric anhydride,3,3,4,4,5,5-hexafluorodihydro-2h-pyran-2,6 3h-dione,hexafluoroglutaric acid anhydride,2,2,3,3,4,4-hexafluoropentanedioic anhydride,3,3,4,4,5,5-hexafluoro-3h-4,5-dihydropyran-2,6-dione,hexafluoroglutaricanhydride,acmc-1clz4,hexafluorooxane-2,6-dione
IUPAC Name 3,3,4,4,5,5-hexafluorooxane-2,6-dione
InChI Key IHYAGCYJVNHXCT-UHFFFAOYSA-N
Molecular Formula C5F6O3
13

3-Methylbenzo[b]thiophene, 98%

CAS: 1455-18-1 Molecular Formula: C9H8S Molecular Weight (g/mol): 148.22 MDL Number: MFCD00040243 InChI Key: SEBRPHZZSLCDRQ-UHFFFAOYSA-N Synonym: 3-methylbenzo b thiophene,3-methylbenzothiophene,3-methylthianaphthene,benzo b thiophene, 3-methyl,3-methylthioindene,benzothiophene, 3-methyl,3-methyl-1-thiaindene,3-methylbenzylthiophene,3-methyl-benzo b thiophene PubChem CID: 73817 IUPAC Name: 3-methyl-1-benzothiophene SMILES: CC1=CSC2=CC=CC=C12

PubChem CID 73817
CAS 1455-18-1
Molecular Weight (g/mol) 148.22
MDL Number MFCD00040243
SMILES CC1=CSC2=CC=CC=C12
Synonym 3-methylbenzo b thiophene,3-methylbenzothiophene,3-methylthianaphthene,benzo b thiophene, 3-methyl,3-methylthioindene,benzothiophene, 3-methyl,3-methyl-1-thiaindene,3-methylbenzylthiophene,3-methyl-benzo b thiophene
IUPAC Name 3-methyl-1-benzothiophene
InChI Key SEBRPHZZSLCDRQ-UHFFFAOYSA-N
Molecular Formula C9H8S
14

5,6,7,8-Tetrahydroquinoxaline, 99%

CAS: 34413-35-9 Molecular Formula: C8H10N2 Molecular Weight (g/mol): 134.182 MDL Number: MFCD00038078 InChI Key: XCZPDOCRSYZOBI-UHFFFAOYSA-N Synonym: cyclohexapyrazine,quinoxaline, 5,6,7,8-tetrahydro,unii-m153cj9ra0,fema no. 3321,5.6.7.8-tetrahydroquinoxaline,nutty quinoxaline,pubchem15475,acmc-209i7e,dsstox_cid_27678,dsstox_rid_82495 PubChem CID: 36822 IUPAC Name: 5,6,7,8-tetrahydroquinoxaline SMILES: C1CCC2=NC=CN=C2C1

PubChem CID 36822
CAS 34413-35-9
Molecular Weight (g/mol) 134.182
MDL Number MFCD00038078
SMILES C1CCC2=NC=CN=C2C1
Synonym cyclohexapyrazine,quinoxaline, 5,6,7,8-tetrahydro,unii-m153cj9ra0,fema no. 3321,5.6.7.8-tetrahydroquinoxaline,nutty quinoxaline,pubchem15475,acmc-209i7e,dsstox_cid_27678,dsstox_rid_82495
IUPAC Name 5,6,7,8-tetrahydroquinoxaline
InChI Key XCZPDOCRSYZOBI-UHFFFAOYSA-N
Molecular Formula C8H10N2
15

2-Amino-5-phenyl-1,3,4-thiadiazole, 97%

CAS: 2002-03-1 Molecular Formula: C7H6N4S Molecular Weight (g/mol): 178.21 MDL Number: MFCD00205278 InChI Key: KTWDTPBHCWJWGJ-UHFFFAOYSA-N Synonym: 5-pyridin-4-yl-1,3,4-thiadiazol-2-amine,2-amino-5-4-pyridyl-1,3,4-thiadiazole,2-amino-5-4-pyridinyl-1,3,4-thiadiazole,5-4-pyridyl-1,3,4-thiadiazol-2-amine,5-pyridin-4-yl-1,3,4 thiadiazol-2-ylamine,2-amino-5-pyridin-4-yl-1,3,4-thiadiazole,pyridine, 4-2-amino-1,3,4-thiadiazol-5-yl,4-2-amino-1,3,4-thiadiazol-5-yl pyridine,2-amino-5-4-piridil-1,3,4-tiadiazolo,5-4-pyridyl-1,3,4-thiazol-2-yl-amine PubChem CID: 121269 IUPAC Name: 5-pyridin-4-yl-1,3,4-thiadiazol-2-amine SMILES: C1=CN=CC=C1C2=NN=C(S2)N

PubChem CID 121269
CAS 2002-03-1
Molecular Weight (g/mol) 178.21
MDL Number MFCD00205278
SMILES C1=CN=CC=C1C2=NN=C(S2)N
Synonym 5-pyridin-4-yl-1,3,4-thiadiazol-2-amine,2-amino-5-4-pyridyl-1,3,4-thiadiazole,2-amino-5-4-pyridinyl-1,3,4-thiadiazole,5-4-pyridyl-1,3,4-thiadiazol-2-amine,5-pyridin-4-yl-1,3,4 thiadiazol-2-ylamine,2-amino-5-pyridin-4-yl-1,3,4-thiadiazole,pyridine, 4-2-amino-1,3,4-thiadiazol-5-yl,4-2-amino-1,3,4-thiadiazol-5-yl pyridine,2-amino-5-4-piridil-1,3,4-tiadiazolo,5-4-pyridyl-1,3,4-thiazol-2-yl-amine
IUPAC Name 5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
InChI Key KTWDTPBHCWJWGJ-UHFFFAOYSA-N
Molecular Formula C7H6N4S