Organoheterocyclic compounds
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5-Amino-1,2,3-thiadiazole 98.0+%, TCI America™
CAS: 4100-41-8 Molecular Formula: C2H3N3S Molecular Weight (g/mol): 101.127 MDL Number: MFCD00082810 InChI Key: PVGHNTXQMCYYGF-UHFFFAOYSA-N PubChem CID: 77736 IUPAC Name: thiadiazol-5-amine SMILES: C1=C(SN=N1)N
| PubChem CID | 77736 |
|---|---|
| CAS | 4100-41-8 |
| Molecular Weight (g/mol) | 101.127 |
| MDL Number | MFCD00082810 |
| SMILES | C1=C(SN=N1)N |
| IUPAC Name | thiadiazol-5-amine |
| InChI Key | PVGHNTXQMCYYGF-UHFFFAOYSA-N |
| Molecular Formula | C2H3N3S |
5-Methylbenzoxazole 98.0+%, TCI America™
CAS: 10531-78-9 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00216938 InChI Key: UBIAVBGIRDRQLD-UHFFFAOYSA-N Synonym: 5-methylbenzoxazole,5-methylbenzo d oxazole,5-methylbenzooxazole,5-methyl-benzoxazole,pubchem8638,acmc-1bprw,5-methylbenzo d oxazole;5-methylbenzo d oxazole PubChem CID: 2724970 IUPAC Name: 5-methyl-1,3-benzoxazole SMILES: CC1=CC=C2OC=NC2=C1
| PubChem CID | 2724970 |
|---|---|
| CAS | 10531-78-9 |
| Molecular Weight (g/mol) | 133.15 |
| MDL Number | MFCD00216938 |
| SMILES | CC1=CC=C2OC=NC2=C1 |
| Synonym | 5-methylbenzoxazole,5-methylbenzo d oxazole,5-methylbenzooxazole,5-methyl-benzoxazole,pubchem8638,acmc-1bprw,5-methylbenzo d oxazole;5-methylbenzo d oxazole |
| IUPAC Name | 5-methyl-1,3-benzoxazole |
| InChI Key | UBIAVBGIRDRQLD-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO |
5-Fluoro-2-methylbenzoxazole 97.0+%, TCI America™
CAS: 701-16-6 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD02093471 InChI Key: GYRZYFSJULFMCS-UHFFFAOYSA-N PubChem CID: 2769350 IUPAC Name: 5-fluoro-2-methyl-1,3-benzoxazole SMILES: CC1=NC2=C(O1)C=CC(=C2)F
| PubChem CID | 2769350 |
|---|---|
| CAS | 701-16-6 |
| Molecular Weight (g/mol) | 151.14 |
| MDL Number | MFCD02093471 |
| SMILES | CC1=NC2=C(O1)C=CC(=C2)F |
| IUPAC Name | 5-fluoro-2-methyl-1,3-benzoxazole |
| InChI Key | GYRZYFSJULFMCS-UHFFFAOYSA-N |
| Molecular Formula | C8H6FNO |
(5-Mercapto-1,3,4-thiadiazol-2-ylthio)acetic Acid 97.0+%, TCI America™
CAS: 53723-88-9 Molecular Formula: C4H4N2O2S3 Molecular Weight (g/mol): 208.268 MDL Number: MFCD00129970 InChI Key: UJBXVTJYSIDCIE-UHFFFAOYSA-N Synonym: 5-mercapto-1,3,4-thiadiazol-2-ylthio acetic acid,2-5-mercapto-1,3,4-thiadiazol-2-yl thio acetic acid,5-sulfanyl-1,3,4-thiadiazol-2-yl sulfanyl acetic acid,4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl thio acetic acid,acetic acid, 4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl thio,5-mercapto-1,3,4-thiadiazole-2-ylthio acetic acid,5-mercapto-1,3,4-thiadiazol-2-yl thio acetic acid,5-mercapto-1,3,4-thiadiazole-2-ylthio aceticacid,2-5-sulfanyl-1,3,4-thiadiazol-2-yl sulfanyl acetic acid,2-5-sulfanyl-1,3,4-thiadiazol-2-ylthio acetic acid PubChem CID: 1714399 IUPAC Name: 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]acetic acid SMILES: C(C(=O)O)SC1=NNC(=S)S1
| PubChem CID | 1714399 |
|---|---|
| CAS | 53723-88-9 |
| Molecular Weight (g/mol) | 208.268 |
| MDL Number | MFCD00129970 |
| SMILES | C(C(=O)O)SC1=NNC(=S)S1 |
| Synonym | 5-mercapto-1,3,4-thiadiazol-2-ylthio acetic acid,2-5-mercapto-1,3,4-thiadiazol-2-yl thio acetic acid,5-sulfanyl-1,3,4-thiadiazol-2-yl sulfanyl acetic acid,4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl thio acetic acid,acetic acid, 4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl thio,5-mercapto-1,3,4-thiadiazole-2-ylthio acetic acid,5-mercapto-1,3,4-thiadiazol-2-yl thio acetic acid,5-mercapto-1,3,4-thiadiazole-2-ylthio aceticacid,2-5-sulfanyl-1,3,4-thiadiazol-2-yl sulfanyl acetic acid,2-5-sulfanyl-1,3,4-thiadiazol-2-ylthio acetic acid |
| IUPAC Name | 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]acetic acid |
| InChI Key | UJBXVTJYSIDCIE-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2O2S3 |
4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione 98.0+%, TCI America™
CAS: 327036-89-5 Molecular Formula: C10H10N2O2S Molecular Weight (g/mol): 222.26 MDL Number: MFCD04973552 InChI Key: JDSJDASOXWCHPN-UHFFFAOYSA-N Synonym: TDZD-8 PubChem CID: 4124851 IUPAC Name: 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione SMILES: CN1SC(=O)N(CC2=CC=CC=C2)C1=O
| PubChem CID | 4124851 |
|---|---|
| CAS | 327036-89-5 |
| Molecular Weight (g/mol) | 222.26 |
| MDL Number | MFCD04973552 |
| SMILES | CN1SC(=O)N(CC2=CC=CC=C2)C1=O |
| Synonym | TDZD-8 |
| IUPAC Name | 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione |
| InChI Key | JDSJDASOXWCHPN-UHFFFAOYSA-N |
| Molecular Formula | C10H10N2O2S |
Thifluzamide 98.0+%, TCI America™
CAS: 130000-40-7 Molecular Formula: C13H6Br2F6N2O2S Molecular Weight (g/mol): 528.061 MDL Number: MFCD03428071 InChI Key: WOSNCVAPUOFXEH-UHFFFAOYSA-N Synonym: N-[2,6-Dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)thiazole-5-carboxamide PubChem CID: 86389 ChEBI: CHEBI:81794 IUPAC Name: N-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide SMILES: CC1=NC(=C(S1)C(=O)NC2=C(C=C(C=C2Br)OC(F)(F)F)Br)C(F)(F)F
| PubChem CID | 86389 |
|---|---|
| CAS | 130000-40-7 |
| Molecular Weight (g/mol) | 528.061 |
| ChEBI | CHEBI:81794 |
| MDL Number | MFCD03428071 |
| SMILES | CC1=NC(=C(S1)C(=O)NC2=C(C=C(C=C2Br)OC(F)(F)F)Br)C(F)(F)F |
| Synonym | N-[2,6-Dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)thiazole-5-carboxamide |
| IUPAC Name | N-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide |
| InChI Key | WOSNCVAPUOFXEH-UHFFFAOYSA-N |
| Molecular Formula | C13H6Br2F6N2O2S |
Thiophene-2-acetic Acid 96.0+%, TCI America™
CAS: 1918-77-0 Molecular Formula: C6H6O2S Molecular Weight (g/mol): 142.172 MDL Number: MFCD00005458 InChI Key: SMJRBWINMFUUDS-UHFFFAOYSA-N Synonym: 2-thiopheneacetic acid,2-thienylacetic acid,thiopheneacetic acid,2-thiophen-2-yl acetic acid,thiophene-2-acetic acid,2-2-thienyl acetic acid,2-thiophene acetic acid,thiophen-2-ylacetic acid,thien-2-yl acetic acid,2-carboxymethyl thiophene PubChem CID: 15970 ChEBI: CHEBI:45807 IUPAC Name: 2-thiophen-2-ylacetic acid SMILES: C1=CSC(=C1)CC(=O)O
| PubChem CID | 15970 |
|---|---|
| CAS | 1918-77-0 |
| Molecular Weight (g/mol) | 142.172 |
| ChEBI | CHEBI:45807 |
| MDL Number | MFCD00005458 |
| SMILES | C1=CSC(=C1)CC(=O)O |
| Synonym | 2-thiopheneacetic acid,2-thienylacetic acid,thiopheneacetic acid,2-thiophen-2-yl acetic acid,thiophene-2-acetic acid,2-2-thienyl acetic acid,2-thiophene acetic acid,thiophen-2-ylacetic acid,thien-2-yl acetic acid,2-carboxymethyl thiophene |
| IUPAC Name | 2-thiophen-2-ylacetic acid |
| InChI Key | SMJRBWINMFUUDS-UHFFFAOYSA-N |
| Molecular Formula | C6H6O2S |
Tropisetron Hydrochloride 98.0+%, TCI America™
CAS: 105826-92-4 Molecular Formula: C17H21ClN2O2 Molecular Weight (g/mol): 320.817 MDL Number: MFCD00210221 InChI Key: XIEGSJAEZIGKSA-ICHLHHFLSA-N Synonym: sdz-ics 930 PubChem CID: 71300439 IUPAC Name: [(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate;hydrochloride SMILES: CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43.Cl
| PubChem CID | 71300439 |
|---|---|
| CAS | 105826-92-4 |
| Molecular Weight (g/mol) | 320.817 |
| MDL Number | MFCD00210221 |
| SMILES | CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43.Cl |
| Synonym | sdz-ics 930 |
| IUPAC Name | [(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate;hydrochloride |
| InChI Key | XIEGSJAEZIGKSA-ICHLHHFLSA-N |
| Molecular Formula | C17H21ClN2O2 |
3,3-Tetramethyleneglutarimide 98.0+%, TCI America™
CAS: 1075-89-4 Molecular Formula: C9H13NO2 Molecular Weight (g/mol): 167.208 MDL Number: MFCD00023871 InChI Key: YRTHJMQKDCXPAY-UHFFFAOYSA-N Synonym: 3,3-tetramethyleneglutarimide,8-azaspiro 4.5 decane-7,9-dione,azaspirodecanedione,1,1-cyclopentanediacetimide,8-aza-spiro 4.5 decane-7,9-dione,buspirone impurity k,dsstox_cid_31405,dsstox_rid_97291,dsstox_gsid_57616 PubChem CID: 136843 IUPAC Name: 8-azaspiro[4.5]decane-7,9-dione SMILES: C1CCC2(C1)CC(=O)NC(=O)C2
| PubChem CID | 136843 |
|---|---|
| CAS | 1075-89-4 |
| Molecular Weight (g/mol) | 167.208 |
| MDL Number | MFCD00023871 |
| SMILES | C1CCC2(C1)CC(=O)NC(=O)C2 |
| Synonym | 3,3-tetramethyleneglutarimide,8-azaspiro 4.5 decane-7,9-dione,azaspirodecanedione,1,1-cyclopentanediacetimide,8-aza-spiro 4.5 decane-7,9-dione,buspirone impurity k,dsstox_cid_31405,dsstox_rid_97291,dsstox_gsid_57616 |
| IUPAC Name | 8-azaspiro[4.5]decane-7,9-dione |
| InChI Key | YRTHJMQKDCXPAY-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO2 |
(S)-(+)-Rolipram 98.0+%, TCI America™
CAS: 85416-73-5 Molecular Formula: C16H21NO3 Molecular Weight (g/mol): 275.348 MDL Number: MFCD03093861 InChI Key: HJORMJIFDVBMOB-GFCCVEGCSA-N Synonym: s-+-rolipram,s-rolipram,+-rolipram,unii-h6g4vmq24k,h6g4vmq24k,4s-4-3-cyclopentyloxy-4-methoxyphenyl pyrrolidin-2-one,s-4-3-cyclopentyloxy-4-methoxyphenyl pyrrolidin-2-one PubChem CID: 158758 ChEBI: CHEBI:59540 IUPAC Name: (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one SMILES: COC1=C(C=C(C=C1)C2CC(=O)NC2)OC3CCCC3
| PubChem CID | 158758 |
|---|---|
| CAS | 85416-73-5 |
| Molecular Weight (g/mol) | 275.348 |
| ChEBI | CHEBI:59540 |
| MDL Number | MFCD03093861 |
| SMILES | COC1=C(C=C(C=C1)C2CC(=O)NC2)OC3CCCC3 |
| Synonym | s-+-rolipram,s-rolipram,+-rolipram,unii-h6g4vmq24k,h6g4vmq24k,4s-4-3-cyclopentyloxy-4-methoxyphenyl pyrrolidin-2-one,s-4-3-cyclopentyloxy-4-methoxyphenyl pyrrolidin-2-one |
| IUPAC Name | (4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one |
| InChI Key | HJORMJIFDVBMOB-GFCCVEGCSA-N |
| Molecular Formula | C16H21NO3 |
2-(Trifluoromethyl)phenothiazine 98.0+%, TCI America™
CAS: 92-30-8 Molecular Formula: C13H8F3NS Molecular Weight (g/mol): 267.269 MDL Number: MFCD00005018 InChI Key: RKGYJVASTMCSHZ-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenothiazine,2-trifluoromethyl-10h-phenothiazine,trifluoromethylphenothiazine,2-trifluoromethylphenothiazine,2-trifluoromethyl-phenothiazine,10h-phenothiazine, 2-trifluoromethyl,phenothiazine, 2-trifluoromethyl,2-triflouomethyl phenothiazine,acmc-209rf8,4-27-00-01352 beilstein handbook reference PubChem CID: 7082 IUPAC Name: 2-(trifluoromethyl)-10H-phenothiazine SMILES: C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)C(F)(F)F
| PubChem CID | 7082 |
|---|---|
| CAS | 92-30-8 |
| Molecular Weight (g/mol) | 267.269 |
| MDL Number | MFCD00005018 |
| SMILES | C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)C(F)(F)F |
| Synonym | 2-trifluoromethyl phenothiazine,2-trifluoromethyl-10h-phenothiazine,trifluoromethylphenothiazine,2-trifluoromethylphenothiazine,2-trifluoromethyl-phenothiazine,10h-phenothiazine, 2-trifluoromethyl,phenothiazine, 2-trifluoromethyl,2-triflouomethyl phenothiazine,acmc-209rf8,4-27-00-01352 beilstein handbook reference |
| IUPAC Name | 2-(trifluoromethyl)-10H-phenothiazine |
| InChI Key | RKGYJVASTMCSHZ-UHFFFAOYSA-N |
| Molecular Formula | C13H8F3NS |
9-Methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-one 99.0+%, TCI America™
CAS: 61751-44-8 Molecular Formula: C9H10N2O Molecular Weight (g/mol): 162.192 MDL Number: MFCD00059749 InChI Key: HPVULYKIYNGGJG-UHFFFAOYSA-N Synonym: Acid Captor 9M PubChem CID: 332623 IUPAC Name: 9-methyl-3,4-dihydropyrido[1,2-a]pyrimidin-2-one SMILES: CC1=CC=CN2C1=NC(=O)CC2
| PubChem CID | 332623 |
|---|---|
| CAS | 61751-44-8 |
| Molecular Weight (g/mol) | 162.192 |
| MDL Number | MFCD00059749 |
| SMILES | CC1=CC=CN2C1=NC(=O)CC2 |
| Synonym | Acid Captor 9M |
| IUPAC Name | 9-methyl-3,4-dihydropyrido[1,2-a]pyrimidin-2-one |
| InChI Key | HPVULYKIYNGGJG-UHFFFAOYSA-N |
| Molecular Formula | C9H10N2O |
6-Methyl-2H-pyrido[1,2-a]pyrimidin-2-one 98.0+%, TCI America™
CAS: 16075-68-6 Molecular Formula: C9H8N2O Molecular Weight (g/mol): 160.176 MDL Number: MFCD00191466 InChI Key: XVVOALIRSDLWJA-UHFFFAOYSA-N PubChem CID: 21766687 IUPAC Name: 6-methylpyrido[1,2-a]pyrimidin-2-one SMILES: CC1=CC=CC2=NC(=O)C=CN12
| PubChem CID | 21766687 |
|---|---|
| CAS | 16075-68-6 |
| Molecular Weight (g/mol) | 160.176 |
| MDL Number | MFCD00191466 |
| SMILES | CC1=CC=CC2=NC(=O)C=CN12 |
| IUPAC Name | 6-methylpyrido[1,2-a]pyrimidin-2-one |
| InChI Key | XVVOALIRSDLWJA-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O |
(S)-2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid 98.0+%, TCI America™
CAS: 78879-20-6 Molecular Formula: C15H18NO4 Molecular Weight (g/mol): 276.31 MDL Number: MFCD00143845 InChI Key: HFPVZPNLMJDJFB-LBPRGKRZSA-M Synonym: boc-tic-oh,s-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,s-n-boc-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,boc-l-tic-oh,s-2-boc-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3s-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,n-boc-l-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3s-2-tert-butoxycarbonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid,3s-2-2-methylpropan-2-yl oxycarbonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid PubChem CID: 664088 IUPAC Name: (3S)-2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate SMILES: CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C([O-])=O
| PubChem CID | 664088 |
|---|---|
| CAS | 78879-20-6 |
| Molecular Weight (g/mol) | 276.31 |
| MDL Number | MFCD00143845 |
| SMILES | CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C([O-])=O |
| Synonym | boc-tic-oh,s-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,s-n-boc-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,boc-l-tic-oh,s-2-boc-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3s-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,n-boc-l-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3s-2-tert-butoxycarbonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid,3s-2-2-methylpropan-2-yl oxycarbonyl-3,4-dihydro-1h-isoquinoline-3-carboxylic acid |
| IUPAC Name | (3S)-2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate |
| InChI Key | HFPVZPNLMJDJFB-LBPRGKRZSA-M |
| Molecular Formula | C15H18NO4 |
4,4,5,5-Tetramethyl-1,3,2-dioxaphospholane 2-Oxide 95.0+%, TCI America™
CAS: 16352-18-4 Molecular Formula: C6H12O3P+ Molecular Weight (g/mol): 163.133 MDL Number: MFCD09836231 InChI Key: MWVBQXVOGPKEII-UHFFFAOYSA-N PubChem CID: 11309699 IUPAC Name: 4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-ium 2-oxide SMILES: CC1(C(O[P+](=O)O1)(C)C)C
| PubChem CID | 11309699 |
|---|---|
| CAS | 16352-18-4 |
| Molecular Weight (g/mol) | 163.133 |
| MDL Number | MFCD09836231 |
| SMILES | CC1(C(O[P+](=O)O1)(C)C)C |
| IUPAC Name | 4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-ium 2-oxide |
| InChI Key | MWVBQXVOGPKEII-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3P+ |