Ethanethioic acid, S-(2-furanylmethyl) ester


Chemical Name: Ethanethioic acid, S-(2-furanylmethyl) ester
CAS Number: 13678-68-7
Product Number: AG0012CU(AGN-PC-0BSKBC)
Synonyms:
MDL No: MFCD00010083
Molecular Formula: C7H8O2S
Molecular Weight: 156.2022

Identification/Properties


Properties
BP:
209.4°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
156.199g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
156.025g/mol
Monoisotopic Mass:
156.025g/mol
Topological Polar Surface Area:
55.5A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
125
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#:
N/A
Hazard Statements:
H227-H315-H319
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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