Home Aldehydes 2-(Benzylthio)pyrimidine-5-carbaldehyde

2-(Benzylthio)pyrimidine-5-carbaldehyde

CAS No.:
915920-15-9
Catalog Number:
AG00GTOQ
Molecular Formula:
C12H10N2OS
Molecular Weight:
230.2856
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG00GTOQ
Chemical Name:
2-(Benzylthio)pyrimidine-5-carbaldehyde
CAS Number:
915920-15-9
Molecular Formula:
C12H10N2OS
Molecular Weight:
230.2856
MDL Number:
MFCD08691653
IUPAC Name:
2-benzylsulfanylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C12H10N2OS/c15-8-11-6-13-12(14-7-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChI Key:
VLTDTICMHNEHCX-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1)SCc1ccccc1
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.285g/mol
Monoisotopic Mass:
230.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties