Organoheterocyclic compounds
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Cyanuric Chloride 98.0+%, TCI America™
CAS: 108-77-0 Molecular Formula: C3Cl3N3 Molecular Weight (g/mol): 184.40 MDL Number: MFCD00006046 InChI Key: MGNCLNQXLYJVJD-UHFFFAOYSA-N Synonym: cyanuric chloride,cyanuryl chloride,cyanuric acid chloride,s-triazine trichloride,trichlorocyanidine,cyanuric trichloride,tricyanogen chloride,sym-trichlorotriazine,cyanur chloride,trichloro-s-triazine PubChem CID: 7954 ChEBI: CHEBI:58964 IUPAC Name: trichloro-1,3,5-triazine SMILES: ClC1=NC(Cl)=NC(Cl)=N1
| PubChem CID | 7954 |
|---|---|
| CAS | 108-77-0 |
| Molecular Weight (g/mol) | 184.40 |
| ChEBI | CHEBI:58964 |
| MDL Number | MFCD00006046 |
| SMILES | ClC1=NC(Cl)=NC(Cl)=N1 |
| Synonym | cyanuric chloride,cyanuryl chloride,cyanuric acid chloride,s-triazine trichloride,trichlorocyanidine,cyanuric trichloride,tricyanogen chloride,sym-trichlorotriazine,cyanur chloride,trichloro-s-triazine |
| IUPAC Name | trichloro-1,3,5-triazine |
| InChI Key | MGNCLNQXLYJVJD-UHFFFAOYSA-N |
| Molecular Formula | C3Cl3N3 |
(R)-alpha-Lipoic Acid 98.0+%, TCI America™
CAS: 1200-22-2 Molecular Formula: C8H14O2S2 Molecular Weight (g/mol): 206.32 MDL Number: MFCD01631142 InChI Key: AGBQKNBQESQNJD-SSDOTTSWSA-N Synonym: (R)-Thioctic Acid, (R)-1,2-Dithiolane-3-valeric Acid PubChem CID: 6112 ChEBI: CHEBI:30314 IUPAC Name: 5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid SMILES: OC(=O)CCCC[C@@H]1CCSS1
| PubChem CID | 6112 |
|---|---|
| CAS | 1200-22-2 |
| Molecular Weight (g/mol) | 206.32 |
| ChEBI | CHEBI:30314 |
| MDL Number | MFCD01631142 |
| SMILES | OC(=O)CCCC[C@@H]1CCSS1 |
| Synonym | (R)-Thioctic Acid, (R)-1,2-Dithiolane-3-valeric Acid |
| IUPAC Name | 5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid |
| InChI Key | AGBQKNBQESQNJD-SSDOTTSWSA-N |
| Molecular Formula | C8H14O2S2 |
Roflumilast 98.0+%, TCI America™
CAS: 162401-32-3 Molecular Formula: C17H14Cl2F2N2O3 Molecular Weight (g/mol): 403.207 MDL Number: MFCD00938270 InChI Key: MNDBXUUTURYVHR-UHFFFAOYSA-N Synonym: 3-(Cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide PubChem CID: 449193 ChEBI: CHEBI:47657 IUPAC Name: 3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide SMILES: C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F
| PubChem CID | 449193 |
|---|---|
| CAS | 162401-32-3 |
| Molecular Weight (g/mol) | 403.207 |
| ChEBI | CHEBI:47657 |
| MDL Number | MFCD00938270 |
| SMILES | C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F |
| Synonym | 3-(Cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide |
| IUPAC Name | 3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide |
| InChI Key | MNDBXUUTURYVHR-UHFFFAOYSA-N |
| Molecular Formula | C17H14Cl2F2N2O3 |
Dorzolamide Hydrochloride 98.0+%, TCI America™
CAS: 130693-82-2 Molecular Formula: C10H17ClN2O4S3 Molecular Weight (g/mol): 360.89 MDL Number: MFCD00884659 InChI Key: OSRUSFPMRGDLAG-CIRBGYJCSA-N PubChem CID: 6918132 ChEBI: CHEBI:4703 IUPAC Name: hydrogen (2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H-1λ⁶-thieno[2,3-b]thiopyran-6-sulfonamide chloride SMILES: [H+].[Cl-].CCN[C@@H]1C[C@@H](C)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O
| PubChem CID | 6918132 |
|---|---|
| CAS | 130693-82-2 |
| Molecular Weight (g/mol) | 360.89 |
| ChEBI | CHEBI:4703 |
| MDL Number | MFCD00884659 |
| SMILES | [H+].[Cl-].CCN[C@@H]1C[C@@H](C)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O |
| IUPAC Name | hydrogen (2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H-1λ⁶-thieno[2,3-b]thiopyran-6-sulfonamide chloride |
| InChI Key | OSRUSFPMRGDLAG-CIRBGYJCSA-N |
| Molecular Formula | C10H17ClN2O4S3 |
Brinzolamide 98.0+%, TCI America™
CAS: 138890-62-7 Molecular Formula: C12H21N3O5S3 Molecular Weight (g/mol): 383.496 MDL Number: MFCD08067749 InChI Key: HCRKCZRJWPKOAR-JTQLQIEISA-N Synonym: (R)-4-(Ethylamino)-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-Dioxide PubChem CID: 68844 ChEBI: CHEBI:41212 IUPAC Name: (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide SMILES: CCNC1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC
| PubChem CID | 68844 |
|---|---|
| CAS | 138890-62-7 |
| Molecular Weight (g/mol) | 383.496 |
| ChEBI | CHEBI:41212 |
| MDL Number | MFCD08067749 |
| SMILES | CCNC1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC |
| Synonym | (R)-4-(Ethylamino)-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-Dioxide |
| IUPAC Name | (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide |
| InChI Key | HCRKCZRJWPKOAR-JTQLQIEISA-N |
| Molecular Formula | C12H21N3O5S3 |
Trichloroisocyanuric Acid 95.0+%, TCI America™
CAS: 87-90-1 Molecular Formula: C3Cl3N3O3 Molecular Weight (g/mol): 232.40 MDL Number: MFCD00006553 InChI Key: YRIZYWQGELRKNT-UHFFFAOYSA-N Synonym: trichloroisocyanuric acid,symclosene,trichlorocyanuric acid,symclosen,isocyanuric chloride,fichlor 91,trichloro-s-triazinetrione,trichloroisocyanic acid,fi clor 91,chloreal PubChem CID: 6909 ChEBI: CHEBI:33015 IUPAC Name: trichloro-1,3,5-triazinane-2,4,6-trione SMILES: ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O
| PubChem CID | 6909 |
|---|---|
| CAS | 87-90-1 |
| Molecular Weight (g/mol) | 232.40 |
| ChEBI | CHEBI:33015 |
| MDL Number | MFCD00006553 |
| SMILES | ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O |
| Synonym | trichloroisocyanuric acid,symclosene,trichlorocyanuric acid,symclosen,isocyanuric chloride,fichlor 91,trichloro-s-triazinetrione,trichloroisocyanic acid,fi clor 91,chloreal |
| IUPAC Name | trichloro-1,3,5-triazinane-2,4,6-trione |
| InChI Key | YRIZYWQGELRKNT-UHFFFAOYSA-N |
| Molecular Formula | C3Cl3N3O3 |
N,N,N',N'-Tetramethyl-O-(N-succinimidyl)uronium Tetrafluoroborate 98.0+%, TCI America™
CAS: 105832-38-0 Molecular Formula: C9H16BF4N3O3 Molecular Weight (g/mol): 301.05 MDL Number: MFCD00077875 InChI Key: YEBLHMRPZHNTEK-UHFFFAOYSA-N Synonym: tstu,o-n-succinimidyl-1,1,3,3-tetramethyluronium tetrafluoroborate,2-2,5-dioxopyrrolidin-1-yl-1,1,3,3-tetramethylisouronium tetrafluoroborate,2-succinimido-1,1,3,3-tetramethyluronium tetrafluoroborate,n,n,n',n'-tetramethyl-o-n-succinimidyl uronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyluronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl-uronium tetrafluoroborate,dimethylamino 2,5-dioxopyrrolidin-1-yl oxy methylidene dimethylazanium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl uronium bf4,pubchem12781 PubChem CID: 9857522 IUPAC Name: [(dimethylamino)[(2,5-dioxopyrrolidin-1-yl)oxy]methylidene]dimethylazanium; tetrafluoroboranuide SMILES: F[B-](F)(F)F.CN(C)C(ON1C(=O)CCC1=O)=[N+](C)C
| PubChem CID | 9857522 |
|---|---|
| CAS | 105832-38-0 |
| Molecular Weight (g/mol) | 301.05 |
| MDL Number | MFCD00077875 |
| SMILES | F[B-](F)(F)F.CN(C)C(ON1C(=O)CCC1=O)=[N+](C)C |
| Synonym | tstu,o-n-succinimidyl-1,1,3,3-tetramethyluronium tetrafluoroborate,2-2,5-dioxopyrrolidin-1-yl-1,1,3,3-tetramethylisouronium tetrafluoroborate,2-succinimido-1,1,3,3-tetramethyluronium tetrafluoroborate,n,n,n',n'-tetramethyl-o-n-succinimidyl uronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyluronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl-uronium tetrafluoroborate,dimethylamino 2,5-dioxopyrrolidin-1-yl oxy methylidene dimethylazanium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl uronium bf4,pubchem12781 |
| IUPAC Name | [(dimethylamino)[(2,5-dioxopyrrolidin-1-yl)oxy]methylidene]dimethylazanium; tetrafluoroboranuide |
| InChI Key | YEBLHMRPZHNTEK-UHFFFAOYSA-N |
| Molecular Formula | C9H16BF4N3O3 |
Cefsulodin Sodium Salt Hydrate 95.0+%, TCI America™
CAS: 1426397-23-0 Molecular Formula: C22H19N4NaO8S2 Molecular Weight (g/mol): 554.52 MDL Number: MFCD07793338 InChI Key: REACMANCWHKJSM-VKYHOSCXNA-M PubChem CID: 131674802 IUPAC Name: sodium 4-carbamoyl-1-{[(6R,7R)-2-carboxylato-8-oxo-7-(2-phenyl-2-sulfonatoacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridin-1-ium SMILES: [Na+].[H][C@]12SCC(C[N+]3=CC=C(C=C3)C(N)=O)=C(N1C(=O)[C@H]2NC(=O)C(C1=CC=CC=C1)S([O-])(=O)=O)C([O-])=O
| PubChem CID | 131674802 |
|---|---|
| CAS | 1426397-23-0 |
| Molecular Weight (g/mol) | 554.52 |
| MDL Number | MFCD07793338 |
| SMILES | [Na+].[H][C@]12SCC(C[N+]3=CC=C(C=C3)C(N)=O)=C(N1C(=O)[C@H]2NC(=O)C(C1=CC=CC=C1)S([O-])(=O)=O)C([O-])=O |
| IUPAC Name | sodium 4-carbamoyl-1-{[(6R,7R)-2-carboxylato-8-oxo-7-(2-phenyl-2-sulfonatoacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridin-1-ium |
| InChI Key | REACMANCWHKJSM-VKYHOSCXNA-M |
| Molecular Formula | C22H19N4NaO8S2 |
Bismuthiol II Hydrate 98.0+%, TCI America™
CAS: 6336-51-2 Molecular Formula: C8H5KN2S3 Molecular Weight (g/mol): 264.42 MDL Number: MFCD00014092 InChI Key: QSKDCVGFAPHSHX-UHFFFAOYSA-M Synonym: 1,3,4-thiadiazolidine-2,5-dithione, 3-phenyl-, potassium salt,3-phenyl-1,3,4-thiadiazolidine-2,5-dithione potassium,potassium 5-mercapto-3-phenyl-1,3,4-thiadiazole-2-thione,3-phenyl-5-sulfanyl-1,3,4-thiadiazole-2-thione potassium,5-mercapto-3-phenyl-1,3,4-thiadiazole-2 3h thione potassium salt PubChem CID: 2775614 IUPAC Name: potassium;4-phenyl-5-sulfanylidene-1,3,4-thiadiazole-2-thiolate SMILES: C1=CC=C(C=C1)N2C(=S)SC(=N2)[S-].[K+]
| PubChem CID | 2775614 |
|---|---|
| CAS | 6336-51-2 |
| Molecular Weight (g/mol) | 264.42 |
| MDL Number | MFCD00014092 |
| SMILES | C1=CC=C(C=C1)N2C(=S)SC(=N2)[S-].[K+] |
| Synonym | 1,3,4-thiadiazolidine-2,5-dithione, 3-phenyl-, potassium salt,3-phenyl-1,3,4-thiadiazolidine-2,5-dithione potassium,potassium 5-mercapto-3-phenyl-1,3,4-thiadiazole-2-thione,3-phenyl-5-sulfanyl-1,3,4-thiadiazole-2-thione potassium,5-mercapto-3-phenyl-1,3,4-thiadiazole-2 3h thione potassium salt |
| IUPAC Name | potassium;4-phenyl-5-sulfanylidene-1,3,4-thiadiazole-2-thiolate |
| InChI Key | QSKDCVGFAPHSHX-UHFFFAOYSA-M |
| Molecular Formula | C8H5KN2S3 |
Bismuthiol 95.0+%, TCI America™
CAS: 1072-71-5 Molecular Formula: C2H2N2S3 Molecular Weight (g/mol): 150.23 MDL Number: MFCD00003103 InChI Key: BIGYLAKFCGVRAN-UHFFFAOYSA-N Synonym: 1,3,4-thiadiazole-2,5-dithiol,2,5-dimercapto-1,3,4-thiadiazole,bismuthiol i,dimercaptothiadiazole,bismuththiol,2,5-dimercaptothiadiazole,usaf a-8354,bismuthiol,py 61h,bismuththiol i PubChem CID: 2723630 IUPAC Name: 1,3,4-thiadiazolidine-2,5-dithione SMILES: S=C1NNC(=S)S1
| PubChem CID | 2723630 |
|---|---|
| CAS | 1072-71-5 |
| Molecular Weight (g/mol) | 150.23 |
| MDL Number | MFCD00003103 |
| SMILES | S=C1NNC(=S)S1 |
| Synonym | 1,3,4-thiadiazole-2,5-dithiol,2,5-dimercapto-1,3,4-thiadiazole,bismuthiol i,dimercaptothiadiazole,bismuththiol,2,5-dimercaptothiadiazole,usaf a-8354,bismuthiol,py 61h,bismuththiol i |
| IUPAC Name | 1,3,4-thiadiazolidine-2,5-dithione |
| InChI Key | BIGYLAKFCGVRAN-UHFFFAOYSA-N |
| Molecular Formula | C2H2N2S3 |
5-Methyl-1,3,4-thiadiazole-2-thiol 98.0+%, TCI America™
CAS: 29490-19-5 Molecular Formula: C3H4N2S2 Molecular Weight (g/mol): 132.20 MDL Number: MFCD00038349 InChI Key: FPVUWZFFEGYCGB-UHFFFAOYSA-N Synonym: 2-mercapto-5-methyl-1,3,4-thiadiazole,5-methyl-1,3,4-thiadiazole-2-thiol,1,3,4-thiadiazole-2 3h-thione, 5-methyl,5-methyl-1,3,4-thiadiazole-2 3h-thione,5-methyl-1,3,4-thiadiazol-2-thiol,2-methyl-5-mercapto-1,3,4-thiadiazole,d2-1,3,4-thiadiazoline-5-thione, 2-methyl,cefazolin impurity e,pubchem9932,acmc-1cbwn PubChem CID: 1810203 IUPAC Name: 5-methyl-2,3-dihydro-1,3,4-thiadiazole-2-thione SMILES: CC1=NNC(=S)S1
| PubChem CID | 1810203 |
|---|---|
| CAS | 29490-19-5 |
| Molecular Weight (g/mol) | 132.20 |
| MDL Number | MFCD00038349 |
| SMILES | CC1=NNC(=S)S1 |
| Synonym | 2-mercapto-5-methyl-1,3,4-thiadiazole,5-methyl-1,3,4-thiadiazole-2-thiol,1,3,4-thiadiazole-2 3h-thione, 5-methyl,5-methyl-1,3,4-thiadiazole-2 3h-thione,5-methyl-1,3,4-thiadiazol-2-thiol,2-methyl-5-mercapto-1,3,4-thiadiazole,d2-1,3,4-thiadiazoline-5-thione, 2-methyl,cefazolin impurity e,pubchem9932,acmc-1cbwn |
| IUPAC Name | 5-methyl-2,3-dihydro-1,3,4-thiadiazole-2-thione |
| InChI Key | FPVUWZFFEGYCGB-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2S2 |
6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole Hydrochloride 98.0+%, TCI America™
CAS: 84163-13-3 Molecular Formula: C12H14ClFN2O Molecular Weight (g/mol): 256.705 MDL Number: MFCD06658529 InChI Key: CWPSRUREOSBKBQ-UHFFFAOYSA-N PubChem CID: 11334359 IUPAC Name: 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride SMILES: C1CNCCC1C2=NOC3=C2C=CC(=C3)F.Cl
| PubChem CID | 11334359 |
|---|---|
| CAS | 84163-13-3 |
| Molecular Weight (g/mol) | 256.705 |
| MDL Number | MFCD06658529 |
| SMILES | C1CNCCC1C2=NOC3=C2C=CC(=C3)F.Cl |
| IUPAC Name | 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride |
| InChI Key | CWPSRUREOSBKBQ-UHFFFAOYSA-N |
| Molecular Formula | C12H14ClFN2O |
1,3-Dihydro-1-methoxyisobenzofuran 97.0+%, TCI America™
CAS: 67536-29-2 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD12407127 InChI Key: HHFOTZJVYJNYJC-UHFFFAOYNA-N Synonym: 1-Methoxyisocoumaran PubChem CID: 11332556 IUPAC Name: 1-methoxy-1,3-dihydro-2-benzofuran SMILES: COC1OCC2=CC=CC=C12
| PubChem CID | 11332556 |
|---|---|
| CAS | 67536-29-2 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD12407127 |
| SMILES | COC1OCC2=CC=CC=C12 |
| Synonym | 1-Methoxyisocoumaran |
| IUPAC Name | 1-methoxy-1,3-dihydro-2-benzofuran |
| InChI Key | HHFOTZJVYJNYJC-UHFFFAOYNA-N |
| Molecular Formula | C9H10O2 |
Zonisamide 98.0+%, TCI America™
CAS: 68291-97-4 Molecular Formula: C8H8N2O3S Molecular Weight (g/mol): 212.22 MDL Number: MFCD00865316 InChI Key: UBQNRHZMVUUOMG-UHFFFAOYSA-N Synonym: zonisamide,zonegran,exceglan,excegram,1,2-benzisoxazole-3-methanesulfonamide,zonisamida,zonisamidum,zonisamidum latin,zonisamida spanish,excegran PubChem CID: 5734 ChEBI: CHEBI:10127 IUPAC Name: (1,2-benzoxazol-3-yl)methanesulfonamide SMILES: NS(=O)(=O)CC1=NOC2=CC=CC=C12
| PubChem CID | 5734 |
|---|---|
| CAS | 68291-97-4 |
| Molecular Weight (g/mol) | 212.22 |
| ChEBI | CHEBI:10127 |
| MDL Number | MFCD00865316 |
| SMILES | NS(=O)(=O)CC1=NOC2=CC=CC=C12 |
| Synonym | zonisamide,zonegran,exceglan,excegram,1,2-benzisoxazole-3-methanesulfonamide,zonisamida,zonisamidum,zonisamidum latin,zonisamida spanish,excegran |
| IUPAC Name | (1,2-benzoxazol-3-yl)methanesulfonamide |
| InChI Key | UBQNRHZMVUUOMG-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O3S |