1,2-Dithiolane-3-pentanoic acid, (3R)-


Chemical Name: 1,2-Dithiolane-3-pentanoic acid, (3R)-
CAS Number: 1200-22-2
Product Number: AG000Q29(AGN-PC-0O009C)
Synonyms:
MDL No:
Molecular Formula: C8H14O2S2
Molecular Weight: 206.3256

Identification/Properties


Properties
MP:
48-52 °C(lit.)
BP:
362.5°C at 760 mmHg
Storage:
-10 ℃;
Form:
Solid
Refractive Index:
114 ° (C=1, EtOH)
Computed Properties
Molecular Weight:
206.318g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
206.044g/mol
Monoisotopic Mass:
206.044g/mol
Topological Polar Surface Area:
87.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
150
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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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