Chemical Properties of 1H-Tetrazole-5-thiol, 1-phenyl- (CAS 86-93-1)

1H-Tetrazole-5-thiol, 1-phenyl-

InChI
InChI=1S/C7H6N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)
InChI Key
GGZHVNZHFYCSEV-UHFFFAOYSA-N
Formula
C7H6N4S
SMILES
Sc1nnnn1-c1ccccc1
Molecular Weight1
178.21
CAS
86-93-1
Other Names
  • Mercaptophenyltetrazole
  • Phenylmercaptotetrazole
  • 1-Phenyl-5-mercaptotetrazole
  • 1-Phenyl-5-tetrazolethione
  • 1-Phenyltetrazole-5-thiol
  • 1-Phenyltetrazolethiol
  • 5-Mercapto-1-phenyltetrazol
  • 5-Mercapto-1-phenyltetrazole
  • 1-Phenyl-1H-tetrazole-5-thiol
  • 5-Mercapto-1-phenyl-1,2,3,4-tetrazole
  • 1-Phenyl-5-mercapto-1,2,3,4-tetrazole
  • 1-Phenyl-5-mercapto-1H-tetrazole
  • 1,2,3,4-Tetrazole-5-thiol, 1-phenyl-
  • 1-Phenyltetrazoline-5-thione
  • 2-Tetrazoline-5-thione, 1-phenyl-
  • 5H-Tetrazole-5-thione, 1,2-dihydro-1-phenyl-
  • NSC 24018
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Physical Properties

Property Value Unit Source
ω 0.5018 Relay (1.0) Calculated Property
ΔfG° 454.54 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 488.40 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 110.31 kJ/mol Relay (1.0) Calculated Property
IE 8.56 eV Relay (1.0) Calculated Property
log10WS -2.48 Relay (1.0) Calculated Property
logPoct/wat 0.951 Crippen Calculated Property
McVol 122.540 ml/mol McGowan Calculated Property
Pc 5976.00 kPa Relay (1.0-beta) Calculated Property
Tboil 587.20 K Relay (1.0) Calculated Property
Tc 884.89 K Relay (1.0) Calculated Property
Tfus 419.14 K Relay (1.0) Calculated Property
Vc 0.460 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

1-Phenyl-5-hydroxytetrazole. 1H-Tetrazole, 1-phenyl-. 1H-Tetrazole, 1-(4-nitrophenyl)-. 5-Methoxy-2(1-phenyl-5-mercaptotetrazole)-quinone. 5-Methyl-2,4-diphenyl-1,2,4-triazol-3-one. 1H-Benzotriazole, 1-phenyl-. Naphtho[2,3-d]-1,2,3-triazin-4(3H)-one, 3-phenyl-. 4-Amino-1-phenylpyrazolo(3,4-e)pyrimidine. Triazophos. Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester. 1,3-Diphenyl pyrazolo[3,4-b] pyrazine. 3-Anilino-1,4-diphenyl-5-phenylimino-1,2,4-triazoline. Pyrolan. p-(1H-1,2,4-Triazol-1-yl) phenol. 5-Methyl-1-phenylpyrazole-4-carboxylic acid.

Find more compounds similar to 1H-Tetrazole-5-thiol, 1-phenyl-.

Sources

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