Home Aldehydes 2-Methylsulfanyl-4-phenylamino-pyrimidine-5-carbaldehyde

2-Methylsulfanyl-4-phenylamino-pyrimidine-5-carbaldehyde

CAS No.:
211245-56-6
Catalog Number:
AG002L91
Molecular Formula:
C12H11N3OS
Molecular Weight:
245.3002
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 96% (HPLC)
1 week
United States
$106
- +
250mg
≥ 96% (HPLC)
1 week
United States
$167
- +
1g
1 week
United States
$262
- +
5g
≥ 96% (HPLC)
1 week
United States
$1127
- +
Product Description
Catalog Number:
AG002L91
Chemical Name:
2-Methylsulfanyl-4-phenylamino-pyrimidine-5-carbaldehyde
CAS Number:
211245-56-6
Molecular Formula:
C12H11N3OS
Molecular Weight:
245.3002
MDL Number:
MFCD04115118
IUPAC Name:
4-anilino-2-methylsulfanylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C12H11N3OS/c1-17-12-13-7-9(8-16)11(15-12)14-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14,15)
InChI Key:
DSFJGNWTXFPBDB-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1Nc1ccccc1)SC
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.062g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.3g/mol
Monoisotopic Mass:
245.062g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties