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61607-68-9

61607-68-9 Structure

61607-68-9 Structure
IdentificationMore
[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
Questions And AnswerBack Directory
[Uses]

1-(2-Dimethylaminoethyl)-5-mercaptotetrazole is an impurity of Cefotiam, a semi-synthetic cephalosporin antibiotic.
Chemical PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[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
[REACH Registrations]

Active
[HazardClass ]

4.1
[PackingGroup ]

III
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Iodomethane-->Sodium azide-->Carbon disulfide
Spectrum DetailBack Directory
[Spectrum Detail]

1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol(61607-68-9)MS
1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol(61607-68-9)1HNMR
1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol(61607-68-9)13CNMR
1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol(61607-68-9)IR1
1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol(61607-68-9)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

61607-68-9(sigmaaldrich)
[TCI AMERICA]

1-(2-Dimethylaminoethyl)-5-mercaptotetrazole,>98.0%(T)(61607-68-9)
Hazard InformationBack 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.
1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol
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