S-phenylsulfanyl ethanethioate


Chemical Name: S-phenylsulfanyl ethanethioate
CAS Number: 15088-78-5
Product Number: AG001MX3(AGN-PC-09OFUE)
Synonyms:
MDL No: MFCD00513572
Molecular Formula: C16H14O2S2
Molecular Weight: 302.4112

Identification/Properties


Computed Properties
Molecular Weight:
302.406g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
302.044g/mol
Monoisotopic Mass:
302.044g/mol
Topological Polar Surface Area:
84.7A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
286
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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