Azoles
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Dorsomorphin 97.0+%, TCI America™
CAS: 866405-64-3 Molecular Formula: C24H25N5O Molecular Weight (g/mol): 399.50 MDL Number: MFCD08705402 InChI Key: XHBVYDAKJHETMP-UHFFFAOYSA-N Synonym: 6-[4-(2-Piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine PubChem CID: 11524144 ChEBI: CHEBI:78510 IUPAC Name: 4-(6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine SMILES: C(CN1CCCCC1)OC1=CC=C(C=C1)C1=CN2N=CC(=C2N=C1)C1=CC=NC=C1
| PubChem CID | 11524144 |
|---|---|
| CAS | 866405-64-3 |
| Molecular Weight (g/mol) | 399.50 |
| ChEBI | CHEBI:78510 |
| MDL Number | MFCD08705402 |
| SMILES | C(CN1CCCCC1)OC1=CC=C(C=C1)C1=CN2N=CC(=C2N=C1)C1=CC=NC=C1 |
| Synonym | 6-[4-(2-Piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine |
| IUPAC Name | 4-(6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine |
| InChI Key | XHBVYDAKJHETMP-UHFFFAOYSA-N |
| Molecular Formula | C24H25N5O |
1-Ethyl-3-methylimidazolium Acetate 95.0+%, TCI America™
CAS: 143314-17-4 Molecular Formula: C8H14N2O2 Molecular Weight (g/mol): 170.212 MDL Number: MFCD06798186 InChI Key: XIYUIMLQTKODPS-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc PubChem CID: 11658353 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;acetate SMILES: CCN1C=C[N+](=C1)C.CC(=O)[O-]
| PubChem CID | 11658353 |
|---|---|
| CAS | 143314-17-4 |
| Molecular Weight (g/mol) | 170.212 |
| MDL Number | MFCD06798186 |
| SMILES | CCN1C=C[N+](=C1)C.CC(=O)[O-] |
| Synonym | 1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc |
| IUPAC Name | 1-ethyl-3-methylimidazol-3-ium;acetate |
| InChI Key | XIYUIMLQTKODPS-UHFFFAOYSA-M |
| Molecular Formula | C8H14N2O2 |
1-Butyl-3-methylimidazolium Chloride 98.0+%, TCI America™
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CAS: 79917-90-1 Molecular Formula: C8H15ClN2 Molecular Weight (g/mol): 174.67 MDL Number: MFCD03095425 InChI Key: FHDQNOXQSTVAIC-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium chloride,3-butyl-1-methyl-1h-imidazol-3-ium chloride,1-n-butyl-3-methylimidazolium chloride,bmimcl,bmim cl,c4mim chloride,dsstox_cid_11461,dsstox_rid_78878,dsstox_gsid_31461 PubChem CID: 2734161 IUPAC Name: 1-butyl-3-methyl-1H-imidazol-3-ium chloride SMILES: [Cl-].CCCCN1C=C[N+](C)=C1
| PubChem CID | 2734161 |
|---|---|
| CAS | 79917-90-1 |
| Molecular Weight (g/mol) | 174.67 |
| MDL Number | MFCD03095425 |
| SMILES | [Cl-].CCCCN1C=C[N+](C)=C1 |
| Synonym | 1-butyl-3-methylimidazolium chloride,3-butyl-1-methyl-1h-imidazol-3-ium chloride,1-n-butyl-3-methylimidazolium chloride,bmimcl,bmim cl,c4mim chloride,dsstox_cid_11461,dsstox_rid_78878,dsstox_gsid_31461 |
| IUPAC Name | 1-butyl-3-methyl-1H-imidazol-3-ium chloride |
| InChI Key | FHDQNOXQSTVAIC-UHFFFAOYSA-M |
| Molecular Formula | C8H15ClN2 |
3,5-Bis(trifluoromethyl)pyrazole 98.0+%, TCI America™
CAS: 14704-41-7 Molecular Formula: C5H2F6N2 Molecular Weight (g/mol): 204.075 MDL Number: MFCD00153672 InChI Key: NGDDUAYSWPUSLX-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl-1h-pyrazole,3,5-bis trifluoromethyl pyrazole,1h-pyrazole,3,5-bis trifluoromethyl,1h-pyrazole, 3,5-bis trifluoromethyl,3,3-bis trifluoromethyl pyrazol,3,5-bis trifluoromethyl pyrazol,3,5-bis-trifluoromethyl-1h-pyrazole,bis trifluoromethyl pyrazole,3,5-di trifluoromethyl-1h-pyrazole PubChem CID: 518991 IUPAC Name: 3,5-bis(trifluoromethyl)-1H-pyrazole SMILES: C1=C(NN=C1C(F)(F)F)C(F)(F)F
| PubChem CID | 518991 |
|---|---|
| CAS | 14704-41-7 |
| Molecular Weight (g/mol) | 204.075 |
| MDL Number | MFCD00153672 |
| SMILES | C1=C(NN=C1C(F)(F)F)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl-1h-pyrazole,3,5-bis trifluoromethyl pyrazole,1h-pyrazole,3,5-bis trifluoromethyl,1h-pyrazole, 3,5-bis trifluoromethyl,3,3-bis trifluoromethyl pyrazol,3,5-bis trifluoromethyl pyrazol,3,5-bis-trifluoromethyl-1h-pyrazole,bis trifluoromethyl pyrazole,3,5-di trifluoromethyl-1h-pyrazole |
| IUPAC Name | 3,5-bis(trifluoromethyl)-1H-pyrazole |
| InChI Key | NGDDUAYSWPUSLX-UHFFFAOYSA-N |
| Molecular Formula | C5H2F6N2 |
1-Ethyl-3-methylimidazolium Chloride 98.0+%, TCI America™
CAS: 65039-09-0 Molecular Formula: C6H11ClN2 Molecular Weight (g/mol): 146.62 MDL Number: MFCD00074843 InChI Key: BMQZYMYBQZGEEY-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium chloride,1-ethyl-3-methyl-1h-imidazol-3-ium chloride,emim cl,unii-ph90aq1e93,1-ethyl-3-methylimidazoliumchloride,1-methyl-3-ethylimidazolium chloride,1-ethyl-3-methylimidazol-3-ium chloride,emim-cl,basionics™ st 80,dsstox_cid_21180 PubChem CID: 2734160 ChEBI: CHEBI:61327 IUPAC Name: 1-ethyl-3-methyl-1H-imidazol-3-ium chloride SMILES: [Cl-].CCN1C=C[N+](C)=C1
| PubChem CID | 2734160 |
|---|---|
| CAS | 65039-09-0 |
| Molecular Weight (g/mol) | 146.62 |
| ChEBI | CHEBI:61327 |
| MDL Number | MFCD00074843 |
| SMILES | [Cl-].CCN1C=C[N+](C)=C1 |
| Synonym | 1-ethyl-3-methylimidazolium chloride,1-ethyl-3-methyl-1h-imidazol-3-ium chloride,emim cl,unii-ph90aq1e93,1-ethyl-3-methylimidazoliumchloride,1-methyl-3-ethylimidazolium chloride,1-ethyl-3-methylimidazol-3-ium chloride,emim-cl,basionics™ st 80,dsstox_cid_21180 |
| IUPAC Name | 1-ethyl-3-methyl-1H-imidazol-3-ium chloride |
| InChI Key | BMQZYMYBQZGEEY-UHFFFAOYSA-M |
| Molecular Formula | C6H11ClN2 |
Mizolastine 98.0+%, TCI America™
CAS: 108612-45-9 Molecular Formula: C24H25FN6O Molecular Weight (g/mol): 432.50 MDL Number: MFCD00864625 InChI Key: PVLJETXTTWAYEW-UHFFFAOYSA-N PubChem CID: 65906 IUPAC Name: 2-[(1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidin-4-yl)(methyl)amino]-3,4-dihydropyrimidin-4-one SMILES: CN(C1CCN(CC1)C1=NC2=CC=CC=C2N1CC1=CC=C(F)C=C1)C1=NC=CC(=O)N1
| PubChem CID | 65906 |
|---|---|
| CAS | 108612-45-9 |
| Molecular Weight (g/mol) | 432.50 |
| MDL Number | MFCD00864625 |
| SMILES | CN(C1CCN(CC1)C1=NC2=CC=CC=C2N1CC1=CC=C(F)C=C1)C1=NC=CC(=O)N1 |
| IUPAC Name | 2-[(1-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}piperidin-4-yl)(methyl)amino]-3,4-dihydropyrimidin-4-one |
| InChI Key | PVLJETXTTWAYEW-UHFFFAOYSA-N |
| Molecular Formula | C24H25FN6O |
1-Phenylimidazole 98.0+%, TCI America™
CAS: 7164-98-9 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.18 MDL Number: MFCD00041204 InChI Key: SEULWJSKCVACTH-UHFFFAOYSA-N Synonym: 1-phenyl-1h-imidazole,phenylimidazole,n-phenylimidazole,1h-imidazole, 1-phenyl,1h-imidazole, phenyl,n-phenyl imidazole,pubchem12611,acmc-20aos8,1-phenylimidazole,1-phenyl-1h-imidazole # PubChem CID: 81595 IUPAC Name: 1-phenyl-1H-imidazole SMILES: C1=CN(C=N1)C1=CC=CC=C1
| PubChem CID | 81595 |
|---|---|
| CAS | 7164-98-9 |
| Molecular Weight (g/mol) | 144.18 |
| MDL Number | MFCD00041204 |
| SMILES | C1=CN(C=N1)C1=CC=CC=C1 |
| Synonym | 1-phenyl-1h-imidazole,phenylimidazole,n-phenylimidazole,1h-imidazole, 1-phenyl,1h-imidazole, phenyl,n-phenyl imidazole,pubchem12611,acmc-20aos8,1-phenylimidazole,1-phenyl-1h-imidazole # |
| IUPAC Name | 1-phenyl-1H-imidazole |
| InChI Key | SEULWJSKCVACTH-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2 |
1,2,4-Triazole 99.0+%, TCI America™
CAS: 288-88-0 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.067 MDL Number: MFCD00005228 InChI Key: NSPMIYGKQJPBQR-UHFFFAOYSA-N Synonym: 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van PubChem CID: 9257 ChEBI: CHEBI:35550 IUPAC Name: 1H-1,2,4-triazole SMILES: C1=NC=NN1
| PubChem CID | 9257 |
|---|---|
| CAS | 288-88-0 |
| Molecular Weight (g/mol) | 69.067 |
| ChEBI | CHEBI:35550 |
| MDL Number | MFCD00005228 |
| SMILES | C1=NC=NN1 |
| Synonym | 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van |
| IUPAC Name | 1H-1,2,4-triazole |
| InChI Key | NSPMIYGKQJPBQR-UHFFFAOYSA-N |
| Molecular Formula | C2H3N3 |
5-Methyl-1H-benzotriazole 99.0+%, TCI America™
CAS: 136-85-6 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.15 MDL Number: MFCD00005702 InChI Key: LRUDIIUSNGCQKF-UHFFFAOYSA-N Synonym: 5-methyl-1h-benzotriazole,5-methylbenzotriazole,tolutriazole,5-tolyltriazole,1h-benzotriazole, 5-methyl,6-methylbenzotriazole,5-methyl-1h-benzo d 1,2,3 triazole,5-methyl-1,2,3-benzotriazole,6-methyl-1,2,3-benzotriazole,t56 bmnnj g1 PubChem CID: 8705 ChEBI: CHEBI:83455 IUPAC Name: 5-methyl-2H-1,2,3-benzotriazole SMILES: CC1=CC2=NNN=C2C=C1
| PubChem CID | 8705 |
|---|---|
| CAS | 136-85-6 |
| Molecular Weight (g/mol) | 133.15 |
| ChEBI | CHEBI:83455 |
| MDL Number | MFCD00005702 |
| SMILES | CC1=CC2=NNN=C2C=C1 |
| Synonym | 5-methyl-1h-benzotriazole,5-methylbenzotriazole,tolutriazole,5-tolyltriazole,1h-benzotriazole, 5-methyl,6-methylbenzotriazole,5-methyl-1h-benzo d 1,2,3 triazole,5-methyl-1,2,3-benzotriazole,6-methyl-1,2,3-benzotriazole,t56 bmnnj g1 |
| IUPAC Name | 5-methyl-2H-1,2,3-benzotriazole |
| InChI Key | LRUDIIUSNGCQKF-UHFFFAOYSA-N |
| Molecular Formula | C7H7N3 |
1-Ethyl-3-methylimidazolium Trifluoromethanesulfonate 98.0+%, TCI America™
CAS: 145022-44-2 Molecular Formula: C7H11F3N2O3S Molecular Weight (g/mol): 260.231 MDL Number: MFCD00210008 InChI Key: ZPTRYWVRCNOTAS-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium trifluoromethanesulfonate,1-ethyl-3-methylimidazolium triflate,1-ethyl-3-methyl-1h-imidazol-3-ium trifluoromethanesulfonate,acmc-209ctv,dsstox_cid_27941,dsstox_rid_82693,dsstox_gsid_47965,1-ethyl-3-methylimidazoliumtrifluoromethanesulfonate,ksc685i3d,1-ethyl-3-methylimidazolium trifluoromethanesulfon PubChem CID: 2758874 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;trifluoromethanesulfonate SMILES: CCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]
| PubChem CID | 2758874 |
|---|---|
| CAS | 145022-44-2 |
| Molecular Weight (g/mol) | 260.231 |
| MDL Number | MFCD00210008 |
| SMILES | CCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-] |
| Synonym | 1-ethyl-3-methylimidazolium trifluoromethanesulfonate,1-ethyl-3-methylimidazolium triflate,1-ethyl-3-methyl-1h-imidazol-3-ium trifluoromethanesulfonate,acmc-209ctv,dsstox_cid_27941,dsstox_rid_82693,dsstox_gsid_47965,1-ethyl-3-methylimidazoliumtrifluoromethanesulfonate,ksc685i3d,1-ethyl-3-methylimidazolium trifluoromethanesulfon |
| IUPAC Name | 1-ethyl-3-methylimidazol-3-ium;trifluoromethanesulfonate |
| InChI Key | ZPTRYWVRCNOTAS-UHFFFAOYSA-M |
| Molecular Formula | C7H11F3N2O3S |
Pyrazole 98.0+%, TCI America™
CAS: 288-13-1 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.079 MDL Number: MFCD00005234 InChI Key: WTKZEGDFNFYCGP-UHFFFAOYSA-N Synonym: pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1 PubChem CID: 1048 ChEBI: CHEBI:17241 IUPAC Name: 1H-pyrazole SMILES: C1=CNN=C1
| PubChem CID | 1048 |
|---|---|
| CAS | 288-13-1 |
| Molecular Weight (g/mol) | 68.079 |
| ChEBI | CHEBI:17241 |
| MDL Number | MFCD00005234 |
| SMILES | C1=CNN=C1 |
| Synonym | pyrazole,1,2-diazole,1h-pyrazol,pyrazol,unii-3qd5kjz7zj,3qd5kjz7zj,diazole,hpz,1-h-pyrazole,pyrazol#1 |
| IUPAC Name | 1H-pyrazole |
| InChI Key | WTKZEGDFNFYCGP-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2 |
5-Acetyl-2,4-dimethylthiazole 98.0+%, TCI America™
CAS: 38205-60-6 Molecular Formula: C7H9NOS Molecular Weight (g/mol): 155.215 MDL Number: MFCD00005331 InChI Key: BLQOKWQUTLNKON-UHFFFAOYSA-N Synonym: 5-acetyl-2,4-dimethylthiazole,2,4-dimethyl-5-acetylthiazole,1-2,4-dimethylthiazol-5-yl ethanone,1-2,4-dimethyl-1,3-thiazol-5-yl ethanone,unii-pd36fu2wgy,ethanone, 1-2,4-dimethyl-5-thiazolyl,1-2,4-dimethyl-5-thiazolyl ethanone,pd36fu2wgy,2,4-dimethyl-5-thiazoyl methyl ketone,ketone, 2,4-dimethyl-5-thiazolyl methyl PubChem CID: 520888 IUPAC Name: 1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone SMILES: CC1=C(SC(=N1)C)C(=O)C
| PubChem CID | 520888 |
|---|---|
| CAS | 38205-60-6 |
| Molecular Weight (g/mol) | 155.215 |
| MDL Number | MFCD00005331 |
| SMILES | CC1=C(SC(=N1)C)C(=O)C |
| Synonym | 5-acetyl-2,4-dimethylthiazole,2,4-dimethyl-5-acetylthiazole,1-2,4-dimethylthiazol-5-yl ethanone,1-2,4-dimethyl-1,3-thiazol-5-yl ethanone,unii-pd36fu2wgy,ethanone, 1-2,4-dimethyl-5-thiazolyl,1-2,4-dimethyl-5-thiazolyl ethanone,pd36fu2wgy,2,4-dimethyl-5-thiazoyl methyl ketone,ketone, 2,4-dimethyl-5-thiazolyl methyl |
| IUPAC Name | 1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone |
| InChI Key | BLQOKWQUTLNKON-UHFFFAOYSA-N |
| Molecular Formula | C7H9NOS |
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-]
| 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 |
4-Amino-3-hydrazino-5-mercapto-1,2,4-triazole 95.0+%, TCI America™
CAS: 1750-12-5 Molecular Formula: C2H6N6S Molecular Weight (g/mol): 146.172 MDL Number: MFCD00003098 InChI Key: RDIMQHBOTMWMJA-UHFFFAOYSA-N Synonym: 4-amino-3-hydrazino-5-mercapto-1,2,4-triazole,purpald,4-amino-3-hydrazino-1,2,4-triazol-5-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, hydrazone,purpald r,4-amino-5-hydrazino-1,2,4-triazole-3-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, 3-hydrazone,4-amino-5-hydrazinyl-4h-1,2,4-triazole-3-thiol,3h-1,2,4-triazole-3-thione, 4-amino-5-hydrazinyl-2,4-dihydro,4-amino-5-hydrazinyl-1,2,4-triazole-3-thiol PubChem CID: 2723946 IUPAC Name: 4-amino-3-hydrazinyl-1H-1,2,4-triazole-5-thione SMILES: C1(=S)NN=C(N1N)NN
| PubChem CID | 2723946 |
|---|---|
| CAS | 1750-12-5 |
| Molecular Weight (g/mol) | 146.172 |
| MDL Number | MFCD00003098 |
| SMILES | C1(=S)NN=C(N1N)NN |
| Synonym | 4-amino-3-hydrazino-5-mercapto-1,2,4-triazole,purpald,4-amino-3-hydrazino-1,2,4-triazol-5-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, hydrazone,purpald r,4-amino-5-hydrazino-1,2,4-triazole-3-thiol,1,2,4-triazolidin-3-one, 4-amino-5-thioxo-, 3-hydrazone,4-amino-5-hydrazinyl-4h-1,2,4-triazole-3-thiol,3h-1,2,4-triazole-3-thione, 4-amino-5-hydrazinyl-2,4-dihydro,4-amino-5-hydrazinyl-1,2,4-triazole-3-thiol |
| IUPAC Name | 4-amino-3-hydrazinyl-1H-1,2,4-triazole-5-thione |
| InChI Key | RDIMQHBOTMWMJA-UHFFFAOYSA-N |
| Molecular Formula | C2H6N6S |