Home Halogens 4(3H)-Pyrimidinone,6-(chloromethyl)-2-(methylthio)-

4(3H)-Pyrimidinone,6-(chloromethyl)-2-(methylthio)-

CAS No.:
89639-37-2
Catalog Number:
AG003W89
Molecular Formula:
C6H7ClN2OS
Molecular Weight:
190.6506
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Product Description
Catalog Number:
AG003W89
Chemical Name:
4(3H)-Pyrimidinone,6-(chloromethyl)-2-(methylthio)-
CAS Number:
89639-37-2
Molecular Formula:
C6H7ClN2OS
Molecular Weight:
190.6506
MDL Number:
MFCD06382874
IUPAC Name:
4-(chloromethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C6H7ClN2OS/c1-11-6-8-4(3-7)2-5(10)9-6/h2H,3H2,1H3,(H,8,9,10)
InChI Key:
XJZYFWNWTOAHTR-UHFFFAOYSA-N
SMILES:
CSc1nc(CCl)cc(=O)[nH]1
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.997g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.645g/mol
Monoisotopic Mass:
189.997g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties