Benzenethiol, 2,5-dimethyl-


Chemical Name: Benzenethiol, 2,5-dimethyl-
CAS Number: 4001-61-0
Product Number: AG003FZP(AGN-PC-0JLQTI)
Synonyms:
MDL No:
Molecular Formula: C8H10S
Molecular Weight: 138.2300

Identification/Properties


Properties
MP:
-30°C (estimate)
BP:
126.3 °C50 mm Hg(lit.)
Storage:
Room Temperature;Inert atmosphere;
Form:
Liquid
Stability:
Stench
Refractive Index:
n20/D 1.5698(lit.)
Computed Properties
Molecular Weight:
138.228g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
138.05g/mol
Monoisotopic Mass:
138.05g/mol
Topological Polar Surface Area:
1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
90.6
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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