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1378874-08-8 | S-3-Chloro-6-methoxyphenylthioacetate
CAS No: 1378874-08-8 Catalog No: AG01FD2Z MDL No:
Product Description
Catalog Number:
AG01FD2Z
Chemical Name:
S-3-Chloro-6-methoxyphenylthioacetate
CAS Number:
1378874-08-8
Molecular Formula:
C9H9ClO2S
Molecular Weight:
216.6846
IUPAC Name:
S-(5-chloro-2-methoxyphenyl) ethanethioate
InChI:
InChI=1S/C9H9ClO2S/c1-6(11)13-9-5-7(10)3-4-8(9)12-2/h3-5H,1-2H3
InChI Key:
OLRULABEZJGGRI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1SC(=O)C)Cl
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.001g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.679g/mol
Monoisotopic Mass:
216.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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