Propanethioic acid, S-(2-furanylmethyl) ester


Chemical Name: Propanethioic acid, S-(2-furanylmethyl) ester
CAS Number: 59020-85-8
Product Number: AG003QPI(AGN-PC-0JL4V4)
Synonyms:
MDL No:
Molecular Formula: C8H10O2S
Molecular Weight: 170.2288

Identification/Properties


Properties
BP:
234.6°C at 760 mmHg
Form:
Liquid
Computed Properties
Molecular Weight:
170.226g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
170.04g/mol
Monoisotopic Mass:
170.04g/mol
Topological Polar Surface Area:
55.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
136
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:
H315-H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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