Home Other Building Blocks 5-isothiocyanato-2-methoxy-4,6-dimethylpyrimidine

5-isothiocyanato-2-methoxy-4,6-dimethylpyrimidine

CAS No.:
1173984-11-6
Catalog Number:
AG01DIOK
Molecular Formula:
C8H9N3OS
Molecular Weight:
195.2416
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Product Description
Catalog Number:
AG01DIOK
Chemical Name:
5-isothiocyanato-2-methoxy-4,6-dimethylpyrimidine
CAS Number:
1173984-11-6
Molecular Formula:
C8H9N3OS
Molecular Weight:
195.2416
MDL Number:
MFCD31652400
IUPAC Name:
5-isothiocyanato-2-methoxy-4,6-dimethylpyrimidine
InChI:
InChI=1S/C8H9N3OS/c1-5-7(9-4-13)6(2)11-8(10-5)12-3/h1-3H3
InChI Key:
GRVAGPSTCABKOI-UHFFFAOYSA-N
SMILES:
COc1nc(C)c(c(n1)C)N=C=S
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.047g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.24g/mol
Monoisotopic Mass:
195.047g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties