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21021-60-3 | S-4-Chlorophenylthioacetate
CAS No: 21021-60-3 Catalog No: AG01FFF2 MDL No:
Product Description
Catalog Number:
AG01FFF2
Chemical Name:
S-4-Chlorophenylthioacetate
CAS Number:
21021-60-3
Molecular Formula:
C8H7ClOS
Molecular Weight:
186.6586
IUPAC Name:
S-(4-chlorophenyl) ethanethioate
InChI:
InChI=1S/C8H7ClOS/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3
InChI Key:
QERKIPHHPNUKGG-UHFFFAOYSA-N
SMILES:
CC(=O)Sc1ccc(cc1)Cl
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.991g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.653g/mol
Monoisotopic Mass:
185.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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