1-Phenyltetrazole-5-Thiol


Chemical Name: 1-Phenyltetrazole-5-Thiol
CAS Number: 86-93-1
Product Number: AG004I52(AGN-PC-0WA4SB)
Synonyms:
MDL No:
Molecular Formula: C7H6N4S
Molecular Weight: 178.2143

Identification/Properties


Properties
MP:
145 °C (dec.)(lit.)
BP:
342°C (rough estimate)
Storage:
2-8℃;
Form:
Solid
Stability:
Air Sensitive
Refractive Index:
1.5500 (estimate)
Solubility:
ethanol: soluble5%, clear, colorless to faintly yellow
Computed Properties
Molecular Weight:
178.213g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
178.031g/mol
Monoisotopic Mass:
178.031g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
210
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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