Home Other Building Blocks 4-Cyano-3-tetrahydrothiophenone

4-Cyano-3-tetrahydrothiophenone

CAS No.:
16563-14-7
Catalog Number:
AG001WA7
Molecular Formula:
C5H5NOS
Molecular Weight:
127.1643
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
In Stock USA
United States
$361
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Product Description
Catalog Number:
AG001WA7
Chemical Name:
4-Cyano-3-tetrahydrothiophenone
CAS Number:
16563-14-7
Molecular Formula:
C5H5NOS
Molecular Weight:
127.1643
MDL Number:
MFCD00059049
IUPAC Name:
4-oxothiolane-3-carbonitrile
InChI:
InChI=1S/C5H5NOS/c6-1-4-2-8-3-5(4)7/h4H,2-3H2
InChI Key:
OHPSBDAUCJNDHP-UHFFFAOYSA-N
SMILES:
C1SCC(=O)C1C#N
NSC Number:
298357
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.009g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.161g/mol
Monoisotopic Mass:
127.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Facile synthesis of 3-alkoxy-4-cyanothiophenes as new building blocks for donor-acceptor conjugated systems. Organic letters 20110401
Properties