Home Halogens methyl 2-[(6-chloropyrazin-2-yl)sulfanyl]acetate

methyl 2-[(6-chloropyrazin-2-yl)sulfanyl]acetate

CAS No.:
1156664-80-0
Catalog Number:
AG019YXU
Molecular Formula:
C7H7ClN2O2S
Molecular Weight:
218.6607
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Product Description
Catalog Number:
AG019YXU
Chemical Name:
methyl 2-[(6-chloropyrazin-2-yl)sulfanyl]acetate
CAS Number:
1156664-80-0
Molecular Formula:
C7H7ClN2O2S
Molecular Weight:
218.6607
MDL Number:
MFCD12092398
IUPAC Name:
methyl 2-(6-chloropyrazin-2-yl)sulfanylacetate
InChI:
InChI=1S/C7H7ClN2O2S/c1-12-7(11)4-13-6-3-9-2-5(8)10-6/h2-3H,4H2,1H3
InChI Key:
MLBRNPHNWYQEQR-UHFFFAOYSA-N
SMILES:
COC(=O)CSc1cncc(n1)Cl
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.992g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.655g/mol
Monoisotopic Mass:
217.992g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties