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1379311-78-0 | S-3,5-Dichlorophenylthioacetate
CAS No: 1379311-78-0 Catalog No: AG01FEW9 MDL No:
Product Description
Catalog Number:
AG01FEW9
Chemical Name:
S-3,5-Dichlorophenylthioacetate
CAS Number:
1379311-78-0
Molecular Formula:
C8H6Cl2OS
Molecular Weight:
221.1036
IUPAC Name:
S-(3,5-dichlorophenyl) ethanethioate
InChI:
InChI=1S/C8H6Cl2OS/c1-5(11)12-8-3-6(9)2-7(10)4-8/h2-4H,1H3
InChI Key:
HTMCIRAJXFATOW-UHFFFAOYSA-N
SMILES:
CC(=O)Sc1cc(Cl)cc(c1)Cl
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.952g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.095g/mol
Monoisotopic Mass:
219.952g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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