Home Aldehydes 2-(Sec-butylthio)pyrimidine-5-carbaldehyde

2-(Sec-butylthio)pyrimidine-5-carbaldehyde

CAS No.:
915920-24-0
Catalog Number:
AG006GLI
Molecular Formula:
C9H12N2OS
Molecular Weight:
196.2694
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG006GLI
Chemical Name:
2-(Sec-butylthio)pyrimidine-5-carbaldehyde
CAS Number:
915920-24-0
Molecular Formula:
C9H12N2OS
Molecular Weight:
196.2694
MDL Number:
MFCD08752993
IUPAC Name:
2-butan-2-ylsulfanylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H12N2OS/c1-3-7(2)13-9-10-4-8(6-12)5-11-9/h4-7H,3H2,1-2H3
InChI Key:
NPHSORTVIACXRD-UHFFFAOYSA-N
SMILES:
CCC(Sc1ncc(cn1)C=O)C
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.067g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.268g/mol
Monoisotopic Mass:
196.067g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties