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1378864-53-9 | S-2,5-Dimethoxyphenylthioacetate
CAS No: 1378864-53-9 Catalog No: AG01FEOE MDL No:
Product Description
Catalog Number:
AG01FEOE
Chemical Name:
S-2,5-Dimethoxyphenylthioacetate
CAS Number:
1378864-53-9
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
IUPAC Name:
S-(2,5-dimethoxyphenyl) ethanethioate
InChI:
InChI=1S/C10H12O3S/c1-7(11)14-10-6-8(12-2)4-5-9(10)13-3/h4-6H,1-3H3
InChI Key:
VVKQOYYATJUZQO-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)SC(=O)C)OC
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.263g/mol
Monoisotopic Mass:
212.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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