Home Halogens 4-chloro-6-methoxy-2-(methylthio)-5-nitropyrimidine

4-chloro-6-methoxy-2-(methylthio)-5-nitropyrimidine

CAS No.:
56032-35-0
Catalog Number:
AG00DLC9
Molecular Formula:
C6H6ClN3O3S
Molecular Weight:
235.6481
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Product Description
Catalog Number:
AG00DLC9
Chemical Name:
4-chloro-6-methoxy-2-(methylthio)-5-nitropyrimidine
CAS Number:
56032-35-0
Molecular Formula:
C6H6ClN3O3S
Molecular Weight:
235.6481
MDL Number:
MFCD29922353
IUPAC Name:
4-chloro-6-methoxy-2-methylsulfanyl-5-nitropyrimidine
InChI:
InChI=1S/C6H6ClN3O3S/c1-13-5-3(10(11)12)4(7)8-6(9-5)14-2/h1-2H3
InChI Key:
LHFPJGXWWXFDAC-UHFFFAOYSA-N
SMILES:
COc1nc(SC)nc(c1[N+](=O)[O-])Cl
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.982g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.642g/mol
Monoisotopic Mass:
234.982g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties