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3-methoxypropanethioamide

CAS No.:
1016740-19-4
Catalog Number:
AG019USF
Molecular Formula:
C4H9NOS
Molecular Weight:
119.1854
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Product Description
Catalog Number:
AG019USF
Chemical Name:
3-methoxypropanethioamide
CAS Number:
1016740-19-4
Molecular Formula:
C4H9NOS
Molecular Weight:
119.1854
MDL Number:
MFCD09816360
IUPAC Name:
3-methoxypropanethioamide
InChI:
InChI=1S/C4H9NOS/c1-6-3-2-4(5)7/h2-3H2,1H3,(H2,5,7)
InChI Key:
AYGNZQROJVNACM-UHFFFAOYSA-N
SMILES:
COCCC(=S)N
Properties
Complexity:
64.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.04g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
119.182g/mol
Monoisotopic Mass:
119.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties