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)

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

• Language:English Provider:SigmaAldrich

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(61607-68-9)Related Product Information

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