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pentanethioamide

CAS No.:
16536-94-0
Catalog Number:
AG001W3H
Molecular Formula:
C5H11NS
Molecular Weight:
117.2125
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Product Description
Catalog Number:
AG001W3H
Chemical Name:
pentanethioamide
CAS Number:
16536-94-0
Molecular Formula:
C5H11NS
Molecular Weight:
117.2125
MDL Number:
MFCD09803501
IUPAC Name:
pentanethioamide
InChI:
InChI=1S/C5H11NS/c1-2-3-4-5(6)7/h2-4H2,1H3,(H2,6,7)
InChI Key:
FFXIGVUMVPUWDK-UHFFFAOYSA-N
SMILES:
CCCCC(=S)N
Properties
Complexity:
61.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.061g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
117.21g/mol
Monoisotopic Mass:
117.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Functional molecules from single wall carbon nanotubes. Photoinduced solubility of short single wall carbon nanotube residues by covalent anchoring of 2,4,6-triarylpyrylium units. Journal of the American Chemical Society 20070502
Properties