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1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol

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1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol Basic information

Product Name:
1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol
Synonyms:
  • 1-N,N-DIMETHYLAMINOETHYL-5-MERCAPTO-1H-TETRAZOLE
  • 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-[2-(dimethylamino)ethyl]-1,2-dihydro-5h-tetrazole-5-thione
  • MTZ
  • 1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol 98%
CAS:
61607-68-9
MF:
C5H11N5S
MW:
173.24
EINECS:
262-868-9
Product Categories:
  • Building Blocks
  • Heterocyclic Building Blocks
  • Tetrazoles
Mol File:
61607-68-9.mol
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1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol Chemical Properties

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)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36
RIDADR 
1325
WGK Germany 
3
HazardClass 
4.1
PackingGroup 
III
HS Code 
29339900

MSDS

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1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol Usage And Synthesis

Uses

1-(2-Dimethylaminoethyl)-5-mercaptotetrazole is an impurity of Cefotiam, a semi-synthetic cephalosporin antibiotic.

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.

1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol Preparation Products And Raw materials

Raw materials

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