Home Halogens 4-chloro-6-methyl-2-methylsulfanylpyrimidine-5-carbonitrile

4-chloro-6-methyl-2-methylsulfanylpyrimidine-5-carbonitrile

CAS No.:
1208170-17-5
Catalog Number:
AG00HFS8
Molecular Formula:
C7H6ClN3S
Molecular Weight:
199.6606
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Product Description
Catalog Number:
AG00HFS8
Chemical Name:
4-chloro-6-methyl-2-methylsulfanylpyrimidine-5-carbonitrile
CAS Number:
1208170-17-5
Molecular Formula:
C7H6ClN3S
Molecular Weight:
199.6606
MDL Number:
MFCD28134480
IUPAC Name:
4-chloro-6-methyl-2-methylsulfanylpyrimidine-5-carbonitrile
InChI:
InChI=1S/C7H6ClN3S/c1-4-5(3-9)6(8)11-7(10-4)12-2/h1-2H3
InChI Key:
RNSMJMNRTRHBSF-UHFFFAOYSA-N
SMILES:
CSc1nc(C)c(c(n1)Cl)C#N
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.997g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.656g/mol
Monoisotopic Mass:
198.997g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties