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1379334-64-1 | S-3-Chloro-4-methylphenylthioacetate
CAS No: 1379334-64-1 Catalog No: AG01FDJ6 MDL No:
Product Description
Catalog Number:
AG01FDJ6
Chemical Name:
S-3-Chloro-4-methylphenylthioacetate
CAS Number:
1379334-64-1
Molecular Formula:
C9H9ClOS
Molecular Weight:
200.6852
IUPAC Name:
S-(3-chloro-4-methylphenyl) ethanethioate
InChI:
InChI=1S/C9H9ClOS/c1-6-3-4-8(5-9(6)10)12-7(2)11/h3-5H,1-2H3
InChI Key:
FOSQKVHQDGMQNW-UHFFFAOYSA-N
SMILES:
CC(=O)Sc1ccc(c(c1)Cl)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.006g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.68g/mol
Monoisotopic Mass:
200.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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