Benzenethiol, 3,4-dimethyl-


Chemical Name: Benzenethiol, 3,4-dimethyl-
CAS Number: 18800-53-8
Product Number: AG002GN9(AGN-PC-0JLX18)
Synonyms:
MDL No: MFCD00010023
Molecular Formula: C8H10S
Molecular Weight: 138.2300

Identification/Properties


Properties
MP:
-30°C (estimate)
BP:
218°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.5736(lit.)
Computed Properties
Molecular Weight:
138.228g/mol
XLogP3:
3.3
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#:
2810
Hazard Statements:
H301+H311+H331-H315-H319
Precautionary Statements:
P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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