Benzenethiol, 3,5-dimethyl-


Chemical Name: Benzenethiol, 3,5-dimethyl-
CAS Number: 38360-81-5
Product Number: AG003IOR(AGN-PC-0JLLAO)
Synonyms:
MDL No: MFCD00040226
Molecular Formula: C8H10S
Molecular Weight: 138.2300

Identification/Properties


Properties
MP:
-30℃ (estimate)
BP:
216.1°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
138.228g/mol
XLogP3:
2.9
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:
80.6
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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