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

2-(Butylthio)pyrimidine-5-carbaldehyde

CAS No.:
915920-13-7
Catalog Number:
AG00GSDJ
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:
AG00GSDJ
Chemical Name:
2-(Butylthio)pyrimidine-5-carbaldehyde
CAS Number:
915920-13-7
Molecular Formula:
C9H12N2OS
Molecular Weight:
196.2694
MDL Number:
MFCD08691652
IUPAC Name:
2-butylsulfanylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H12N2OS/c1-2-3-4-13-9-10-5-8(7-12)6-11-9/h5-7H,2-4H2,1H3
InChI Key:
YCJOTWCAJTZPNS-UHFFFAOYSA-N
SMILES:
CCCCSc1ncc(cn1)C=O
Properties
Complexity:
147  
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:
5  
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties