Thianaphthene


Chemical Name: Thianaphthene
CAS Number: 95-15-8
Product Number: AG0034HU(AGN-PC-0WAFD3)
Synonyms:
MDL No:
Molecular Formula: C8H6S
Molecular Weight: 134.1982

Identification/Properties


Properties
MP:
30-33 °C
BP:
221-222°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.6332 (estimate)
Solubility:
0.13g/l
Computed Properties
Molecular Weight:
134.196g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
134.019g/mol
Monoisotopic Mass:
134.019g/mol
Topological Polar Surface Area:
28.2A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
101
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#:
3077
Hazard Statements:
H302-H411
Precautionary Statements:
P501-P273-P270-P264-P391-P301+P312+P330
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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