Benzenethiol, 2,4-dimethyl-


Chemical Name: Benzenethiol, 2,4-dimethyl-
CAS Number: 13616-82-5
Product Number: AG0032ZQ(AGN-PC-0JLUNH)
Synonyms:
MDL No: MFCD00010019
Molecular Formula: C8H10S
Molecular Weight: 138.2300

Identification/Properties


Properties
MP:
-30°C (estimate)
BP:
207-208 °C(lit.)
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Stability:
Stench
Refractive Index:
n20/D 1.569(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


GHS Pictogram:
Signal Word:
Danger
UN#:
1993
Hazard Statements:
H226-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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