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1443335-08-7 | Ethyl 2-(3-methylthiophenyl)sulfanyl-2-oxo-acetate
CAS No: 1443335-08-7 Catalog No: AG01F92M MDL No:
Product Description
Catalog Number:
AG01F92M
Chemical Name:
Ethyl 2-(3-methylthiophenyl)sulfanyl-2-oxo-acetate
CAS Number:
1443335-08-7
Molecular Formula:
C11H12O3S2
Molecular Weight:
256.3412
IUPAC Name:
ethyl 2-(3-methylsulfanylphenyl)sulfanyl-2-oxoacetate
InChI:
InChI=1S/C11H12O3S2/c1-3-14-10(12)11(13)16-9-6-4-5-8(7-9)15-2/h4-7H,3H2,1-2H3
InChI Key:
BZGWCTVLJQZQOZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Sc1cccc(c1)SC
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.023g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.334g/mol
Monoisotopic Mass:
256.023g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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