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129018-26-4 | Ethanethioic acid, S-[4-(chlorocarbonyl)phenyl] ester
CAS No: 129018-26-4 Catalog No: AG000YT0 MDL No:
Product Description
Catalog Number:
AG000YT0
Chemical Name:
Ethanethioic acid, S-[4-(chlorocarbonyl)phenyl] ester
CAS Number:
129018-26-4
Molecular Formula:
C9H7ClO2S
Molecular Weight:
214.6687
IUPAC Name:
S-(4-carbonochloridoylphenyl) ethanethioate
InChI:
InChI=1S/C9H7ClO2S/c1-6(11)13-8-4-2-7(3-5-8)9(10)12/h2-5H,1H3
InChI Key:
LZIMZHBYBYQWJZ-UHFFFAOYSA-N
SMILES:
CC(=O)Sc1ccc(cc1)C(=O)Cl
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.986g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.663g/mol
Monoisotopic Mass:
213.986g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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