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16536-93-9 | butanethioamide
CAS No: 16536-93-9 Catalog No: AG001W3I MDL No:MFCD09802520
Product Description
Catalog Number:
AG001W3I
Chemical Name:
butanethioamide
CAS Number:
16536-93-9
Molecular Formula:
C4H9NS
Molecular Weight:
103.1860
MDL Number:
MFCD09802520
IUPAC Name:
butanethioamide
InChI:
InChI=1S/C4H9NS/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)
InChI Key:
WPLXTOVHRYJKSG-UHFFFAOYSA-N
SMILES:
CCCC(=S)N
Properties
Complexity:
51.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
103.046g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
103.183g/mol
Monoisotopic Mass:
103.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| 2-Deoxy-2,3-didehydro-N-acetylneuraminic acid analogs structurally modified by thiocarbamoylalkyl groups at the C-4 position: Synthesis and biological evaluation as inhibitors of human parainfluenza virus type 1. | Bioorganic & medicinal chemistry 20080715 |
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