1,2-Propanediol, 3-mercapto-


Chemical Name: 1,2-Propanediol, 3-mercapto-
CAS Number: 96-27-5
Product Number: AG006S0C(AGN-PC-0JK80Q)
Synonyms:
MDL No:
Molecular Formula: C3H8O2S
Molecular Weight: 108.1594

Identification/Properties


Properties
BP:
118 °C5 mm Hg(lit.)
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Stability:
Air Sensitive & Hygroscopic
Refractive Index:
n20/D 1.527(lit.)
Solubility:
absolute ethanol: 1 mL/mL
Computed Properties
Molecular Weight:
108.155g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
108.025g/mol
Monoisotopic Mass:
108.025g/mol
Topological Polar Surface Area:
41.5A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
32
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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#:
2810
Hazard Statements:
H302-H311-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338-P312
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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