Acetic acid, (acetylthio)-


Chemical Name: Acetic acid, (acetylthio)-
CAS Number: 1190-93-8
Product Number: AG000P1E(AGN-PC-0JKBRL)
Synonyms:
MDL No:
Molecular Formula: C4H6O3S
Molecular Weight: 134.1536

Identification/Properties


Properties
BP:
158-159°C @17mm
Storage:
Room Temperature;
Refractive Index:
1.4902
Computed Properties
Molecular Weight:
134.149g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
134.004g/mol
Monoisotopic Mass:
134.004g/mol
Topological Polar Surface Area:
79.7A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
110
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#:
-
Hazard Statements:
H315-H319
Precautionary Statements:
P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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