3-sulfanylpropanoic acid


Chemical Name: 3-sulfanylpropanoic acid
CAS Number: 107-96-0
Product Number: AG0033QP(AGN-PC-0BXEXN)
Synonyms:
MDL No:
Molecular Formula: C3H6O2S
Molecular Weight: 106.1435

Identification/Properties


Properties
MP:
17 °C
BP:
217.4°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Stability:
Air Sensitive & Hygroscopic
Refractive Index:
n20/D 1.492(lit.)
Computed Properties
Molecular Weight:
106.139g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
106.009g/mol
Monoisotopic Mass:
106.009g/mol
Topological Polar Surface Area:
38.3A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
52.8
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#:
2922
Hazard Statements:
H301-H314
Precautionary Statements:
P280-P301+P310-P305+P351+P338-P310
Class:
8,6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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