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Home Carbonyls 4-Cyano-4-(dodecylsulfanylthiocarbonyl)sulfanylpentanoic acid

4-Cyano-4-(dodecylsulfanylthiocarbonyl)sulfanylpentanoic acid

CAS No.:
870196-80-8
Catalog Number:
AG003L8W
Molecular Formula:
C19H33NO2S3
Molecular Weight:
403.6658
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$119
- +
1g
95%
In Stock USA
United States
$288
- +
5g
95%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG003L8W
Chemical Name:
4-Cyano-4-(dodecylsulfanylthiocarbonyl)sulfanylpentanoic acid
CAS Number:
870196-80-8
Molecular Formula:
C19H33NO2S3
Molecular Weight:
403.6658
MDL Number:
MFCD11040288
IUPAC Name:
4-cyano-4-dodecylsulfanylcarbothioylsulfanylpentanoic acid
InChI:
InChI=1S/C19H33NO2S3/c1-3-4-5-6-7-8-9-10-11-12-15-24-18(23)25-19(2,16-20)14-13-17(21)22/h3-15H2,1-2H3,(H,21,22)
InChI Key:
RNTXYZIABJIFKQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSC(=S)SC(CCC(=O)O)(C#N)C
Properties
Complexity:
434  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.167g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
403.658g/mol
Monoisotopic Mass:
403.167g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6  
Properties