Benzenemethanethiol, 4-methoxy-


Chemical Name: Benzenemethanethiol, 4-methoxy-
CAS Number: 6258-60-2
Product Number: AG00370L(AGN-PC-0JLSML)
Synonyms:
MDL No:
Molecular Formula: C8H10OS
Molecular Weight: 154.2294

Identification/Properties


Properties
BP:
90-95 °C0.5 mm Hg(lit.)
Storage:
2-8℃;
Form:
Liquid
Stability:
Air Sensitive
Refractive Index:
n20/D 1.573(lit.)
Computed Properties
Molecular Weight:
154.227g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
154.045g/mol
Monoisotopic Mass:
154.045g/mol
Topological Polar Surface Area:
10.2A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
87.3
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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