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146538-32-1 | Ethanethioamide, 2-(methylthio)-
CAS No: 146538-32-1 Catalog No: AG001E44 MDL No:
Product Description
Catalog Number:
AG001E44
Chemical Name:
Ethanethioamide, 2-(methylthio)-
CAS Number:
146538-32-1
Molecular Formula:
C3H7NS2
Molecular Weight:
121.2244
IUPAC Name:
2-methylsulfanylethanethioamide
InChI:
InChI=1S/C3H7NS2/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)
InChI Key:
SDOUORGMDGJIIJ-UHFFFAOYSA-N
SMILES:
CSCC(=S)N
Properties
Complexity:
52.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.002g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
121.216g/mol
Monoisotopic Mass:
121.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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