1-Propanol, 3-(methylthio)-, acetate


Chemical Name: 1-Propanol, 3-(methylthio)-, acetate
CAS Number: 16630-55-0
Product Number: AG001WM9(AGN-PC-0O4Q87)
Synonyms:
MDL No:
Molecular Formula: C6H12O2S
Molecular Weight: 148.2233

Identification/Properties


Computed Properties
Molecular Weight:
148.22g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
148.056g/mol
Monoisotopic Mass:
148.056g/mol
Topological Polar Surface Area:
51.6A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
83.1
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#:
1993
Hazard Statements:
H227
Precautionary Statements:
P210-P280-P370+P378-P403+P235-P501
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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