Home Halogens 4-methoxyphenyl chloromethanethioate

4-methoxyphenyl chloromethanethioate

CAS No.:
940-58-9
Catalog Number:
AG019WHF
Molecular Formula:
C8H7ClO2S
Molecular Weight:
202.6580
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Product Description
Catalog Number:
AG019WHF
Chemical Name:
4-methoxyphenyl chloromethanethioate
CAS Number:
940-58-9
Molecular Formula:
C8H7ClO2S
Molecular Weight:
202.6580
MDL Number:
MFCD03425084
IUPAC Name:
O-(4-methoxyphenyl) chloromethanethioate
InChI:
InChI=1S/C8H7ClO2S/c1-10-6-2-4-7(5-3-6)11-8(9)12/h2-5H,1H3
InChI Key:
PIAWCPAIZSGTRF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OC(=S)Cl
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.986g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.652g/mol
Monoisotopic Mass:
201.986g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties