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Thiopropionamide

CAS No.:
631-58-3
Catalog Number:
AG0035P2
Molecular Formula:
C3H7NS
Molecular Weight:
89.1594
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$50
- +
5g
97%
In Stock USA
United States
$138
- +
10g
97%
In Stock USA
United States
$200
- +
25g
97%
In Stock USA
United States
$400
- +
100g
97%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG0035P2
Chemical Name:
Thiopropionamide
CAS Number:
631-58-3
Molecular Formula:
C3H7NS
Molecular Weight:
89.1594
MDL Number:
MFCD00059864
IUPAC Name:
propanethioamide
InChI:
InChI=1S/C3H7NS/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
InChI Key:
WPZSAUFQHYFIPG-UHFFFAOYSA-N
SMILES:
CCC(=S)N
NSC Number:
400115
Properties
Complexity:
42.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
89.03g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
89.156g/mol
Monoisotopic Mass:
89.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
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
Time-resolved IR spectroscopy of N-methylthioacetamide: trans-->cis isomerization upon n-pi and pi-pi excitation and cis-->trans photoreaction. The journal of physical chemistry. A 20061012
Photoswitchable elements within a peptide backbone-ultrafast spectroscopy of thioxylated amides. The journal of physical chemistry. B 20050317
Controlling the conformation of arylamides: computational studies of intramolecular hydrogen bonds between amides and ethers or thioethers. Chemistry (Weinheim an der Bergstrasse, Germany) 20041011
A fast photoswitch for minimally perturbed peptides: investigation of the trans-->cis photoisomerization of N-methylthioacetamide. Journal of the American Chemical Society 20040721
Properties