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Sinapine thiocyanate

CAS No.:
7431-77-8
Catalog Number:
AG00FBFZ
Molecular Formula:
C17H24N2O5S
Molecular Weight:
368.4479
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
98%
1 week
United States
$157
- +
25mg
98%
1 week
United States
$207
- +
50mg
98%
1 week
United States
$273
- +
100mg
98%
1 week
United States
$440
- +
200mg
98%
1 week
United States
$723
- +
Product Description
Catalog Number:
AG00FBFZ
Chemical Name:
Sinapine thiocyanate
CAS Number:
7431-77-8
Molecular Formula:
C17H24N2O5S
Molecular Weight:
368.4479
MDL Number:
MFCD27968306
IUPAC Name:
2-[(E)-3-(4-hydroxy-2,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium;thiocyanate
InChI:
InChI=1S/C16H23NO5.CHNS/c1-17(2,3)8-9-22-16(19)7-6-12-10-15(21-5)13(18)11-14(12)20-4;2-1-3/h6-7,10-11H,8-9H2,1-5H3;3H
InChI Key:
NPOZDPAVPFLLCN-UHFFFAOYSA-N
SMILES:
COc1cc(C=CC(=O)OCC[N+](C)(C)C)cc(c1O)OC.[S-]C#N
Properties
Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
368.141g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
368.448g/mol
Monoisotopic Mass:
368.141g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties