Identification | More | [Name]
1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol | [CAS]
61607-68-9 | [Synonyms]
1-[2-(dimethylamino)ethyl]-1,2-dihydro-5h-tetrazole-5-thione 1-(2-DIMETHYLAMINOETHYL)-1H-TETRAZOLE-5-THIOL 1-(2-DIMETHYLAMINOETHYL)-5-MERCAPTO-1,2,3,4-TETRAZOLE 1-(2-DIMETHYLAMINOETHYL)-5-MERCAPTOTETRAZOLE 1,2'-DIMETHYLAMINO-ETHYL-5-MERCAPTO-TETRAZOLE 1-N,N-DIMETHYLAMINOETHYL-5-MERCAPTO-1H-TETRAZOLE MTZ 2-Dimethylaminoethyl)-5-Mercaptotetrazole 1-(2-Dimethylaminoethyl)-5-Mercapto-1H-tetrazole 1-(2-(DIMETHYLAMINO)ETHYL)-1H-TETRAZOLE- 1-(2-Dimethylaminoethyl)-1H-Tetrazol-5-Thiol 1-(2-Dimethylaminoethyl)-5-mer 1-(2-dimethylaminoehtyl)-5-mercapto-1,2,3,4-tetrazole (intermediate of cefotiam) 1-(2-DIMETHYLAMINOETHYL)-5-MERCAPTO-1,2,3,4-TETRAZOLE/MTZ 1-[2-(DIMETHYLAMINO)ETHYL]-5-THIOL 1H-TETRAZOLE (MTZ) 1-(N,N-Dimethylamino)ethyl-5-mercapto tetrazole 1-(2-Dimethylaminoethyl)-4,5-dihydrotetrazole-5-thione MTAA:5-MERCAPTO-1H-TETRAZOLE C1-ACETIC ACID 1-(2-Dimethylaminoethyl)-5-Mercapto-1,2,3,4-Tetrazole (DMMT) 1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5(4H)-thione | [EINECS(EC#)]
262-868-9 | [Molecular Formula]
C5H11N5S | [MDL Number]
MFCD00082923 | [Molecular Weight]
173.24 | [MOL File]
61607-68-9.mol |
Chemical Properties | Back Directory | [Melting point ]
215 °C (dec.)(lit.)
| [Boiling point ]
202.6±42.0 °C(Predicted) | [density ]
1.36±0.1 g/cm3(Predicted) | [storage temp. ]
-20°C Freezer, Under inert atmosphere | [solubility ]
Methanol (Slightly), Water (Sparingly, Heated) | [form ]
Solid | [pka]
8.06±0.20(Predicted) | [color ]
White to Off-White | [InChI]
InChI=1S/C5H11N5S/c1-9(2)3-4-10-5(11)6-7-8-10/h3-4H2,1-2H3,(H,6,8,11) | [InChIKey]
ODDAWJGQWOGBCX-UHFFFAOYSA-N | [SMILES]
N1(CCN(C)C)C(=S)N=NN1 | [CAS DataBase Reference]
61607-68-9(CAS DataBase Reference) |
Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . | [RIDADR ]
1325 | [WGK Germany ]
3
| [HazardClass ]
4.1 | [PackingGroup ]
III | [HS Code ]
29339900 |
Hazard Information | Back Directory | [Synthesis]
2-isocyanate-N, N-dimethylethanamine (1 mmol), and sodium azide (1 mmol) were stirred with 2 ml of 2-propanol and 2 ml of water for 3 hours at a temperature of 80°C. The solvent was removed by reducing pressure after acidification using 2N HCl. The desired form of the compound, 1-(2-dimethylamino)ethyl)-1H-tetrazole-5-thiol, was obtained with a yield of 84% by purifying with silica gel column chromatography using methanol and dichloromethane as developing solvents.
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