Ethanethioic acid, S-methyl ester


Chemical Name: Ethanethioic acid, S-methyl ester
CAS Number: 1534-08-3
Product Number: AG003UA1(AGN-PC-0JLB60)
Synonyms:
MDL No:
Molecular Formula: C3H6OS
Molecular Weight: 90.1441

Identification/Properties


Properties
BP:
97-99°C
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n/D1.464
Computed Properties
Molecular Weight:
90.14g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
90.014g/mol
Monoisotopic Mass:
90.014g/mol
Topological Polar Surface Area:
42.4A^2
Heavy Atom Count:
5
Formal Charge:
0
Complexity:
42.2
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#:
1992
Hazard Statements:
H225-H311-H319-H332
Precautionary Statements:
P210-P280-P305+P351+P338-P312
Class:
3,6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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