4H-1-Benzothiopyran-4-one, 2,3-dihydro-


Chemical Name: 4H-1-Benzothiopyran-4-one, 2,3-dihydro-
CAS Number: 3528-17-4
Product Number: AG003US7(AGN-PC-0JKEGC)
Synonyms:
MDL No:
Molecular Formula: C9H8OS
Molecular Weight: 164.2242

Identification/Properties


Properties
MP:
28-30 °C(lit.);
BP:
293.7 °C at 760 mmHg
Storage:
2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
164.222g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
164.03g/mol
Monoisotopic Mass:
164.03g/mol
Topological Polar Surface Area:
42.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
167
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:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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