Benzenethiol, dichloro-


Chemical Name: Benzenethiol, dichloro-
CAS Number: 17231-95-7
Product Number: AG003FHY(AGN-PC-0JMR6S)
Synonyms:
MDL No: MFCD00041420
Molecular Formula: C6H4Cl2S
Molecular Weight: 179.0670

Identification/Properties


Properties
MP:
54.4-60.1 °C
BP:
249.3°C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Stability:
Stench
Computed Properties
Molecular Weight:
179.058g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
177.941g/mol
Monoisotopic Mass:
177.941g/mol
Topological Polar Surface Area:
1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
97.1
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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