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618101-51-2 | S-2-Methylthiophenylthioacetate
CAS No: 618101-51-2 Catalog No: AG01FEYQ MDL No:
Product Description
Catalog Number:
AG01FEYQ
Chemical Name:
S-2-Methylthiophenylthioacetate
CAS Number:
618101-51-2
Molecular Formula:
C9H10OS2
Molecular Weight:
198.3051
IUPAC Name:
S-(2-methylsulfanylphenyl) ethanethioate
InChI:
InChI=1S/C9H10OS2/c1-7(10)12-9-6-4-3-5-8(9)11-2/h3-6H,1-2H3
InChI Key:
XEKIRJNLWYLFPQ-UHFFFAOYSA-N
SMILES:
CSc1ccccc1SC(=O)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.298g/mol
Monoisotopic Mass:
198.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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