Home Other Building Blocks 4-(4-Methoxyphenyl)pyrimidine-2-thiol

4-(4-Methoxyphenyl)pyrimidine-2-thiol

CAS No.:
175202-77-4
Catalog Number:
AG0020HZ
Molecular Formula:
C11H10N2OS
Molecular Weight:
218.2749
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG0020HZ
Chemical Name:
4-(4-Methoxyphenyl)pyrimidine-2-thiol
CAS Number:
175202-77-4
Molecular Formula:
C11H10N2OS
Molecular Weight:
218.2749
MDL Number:
MFCD00085109
IUPAC Name:
6-(4-methoxyphenyl)-1H-pyrimidine-2-thione
InChI:
InChI=1S/C11H10N2OS/c1-14-9-4-2-8(3-5-9)10-6-7-12-11(15)13-10/h2-7H,1H3,(H,12,13,15)
InChI Key:
KSXDNCUHISGCTF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1ccnc(=S)[nH]1
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.051g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.274g/mol
Monoisotopic Mass:
218.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties