Product Name

  • Name

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

  • EINECS 262-868-9
  • CAS No. 61607-68-9
  • Article Data12
  • CAS DataBase
  • Density 1.36 g/cm3
  • Solubility
  • Melting Point 215 °C (dec.)(lit.)
  • Formula C5H11N5S
  • Boiling Point 202.6 °C at 760 mmHg
  • Molecular Weight 173.242
  • Flash Point 76.3 °C
  • Transport Information
  • Appearance
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 61607-68-9 (1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol)
  • Hazard Symbols IrritantXi
  • Synonyms 1-(2-Dimethylaminoethyl)-5-mercapto-1H-tetrazole;1-(2-N,N-Dimethylaminoethyl)-5-mercaptotetrazole;1-[2-(Dimethylamino)ethyl]-5-mercaptotetrazole;5-Mercapto-1-(2-dimethylaminoethyl)-1H-tetrazole;
  • PSA 85.64000
  • LogP -0.47660

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

IUPAC Name: 1-(2-Dimethylaminoethyl)-2H-tetrazole-5-thione
CAS NO: 61607-68-9
Molecular Formula: C5H11N5S
Molecular Weight: 173.24
Molecular Structure:

EINECS: 262-868-9
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 66.53 Å2
Index of Refraction: 1.662
Molar Refractivity: 47.06 cm3
Molar Volume: 127.1 cm3
Surface Tension: 47.6 dyne/cm
Density: 1.36 g/cm3
Flash Point: 76.3 °C
Enthalpy of Vaporization: 43.89 kJ/mol
Boiling Point: 202.6 °C at 760 mmHg
Vapour Pressure: 0.289 mmHg at 25°C
Melting Point: 215 °C (dec.)(lit.)
SMILES: S=C1/N=N\NN1CCN(C)C
InChI: InChI=1/C5H11N5S/c1-9(2)3-4-10-5(11)6-7-8-10/h3-4H2,1-2H3,(H,6,8,11)
InChIKey: ODDAWJGQWOGBCX-UHFFFAOYAU
Std. InChI: InChI=1S/C5H11N5S/c1-9(2)3-4-10-5(11)6-7-8-10/h3-4H2,1-2H3,(H,6,8,11)
Std. InChIKey: ODDAWJGQWOGBCX-UHFFFAOYSA-N
Product Categories of 1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol (CAS NO.61607-68-9): Tetrazoles; Building Blocks; Heterocyclic Building Blocks

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

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38: 1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol (CAS NO.61607-68-9) is irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing.
WGK Germany: 3

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

  1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol , with CAS number of 61607-68-9, can be called 1-[2-(Dimethylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione ; 1-(2-Dimethylaminoethyl)-5-mercapto-1,2,3,4-tetrazole .

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