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124658-66-8 | Butanoic acid, 2-[bis(methylthio)methylene]-, ethyl ester
CAS No: 124658-66-8 Catalog No: AG000MKB MDL No:
Product Description
Catalog Number:
AG000MKB
Chemical Name:
Butanoic acid, 2-[bis(methylthio)methylene]-, ethyl ester
CAS Number:
124658-66-8
Molecular Formula:
C9H16O2S2
Molecular Weight:
220.3521
IUPAC Name:
ethyl 2-[bis(methylsulfanyl)methylidene]butanoate
InChI:
InChI=1S/C9H16O2S2/c1-5-7(8(10)11-6-2)9(12-3)13-4/h5-6H2,1-4H3
InChI Key:
KTFPKDXCLPXCJS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(SC)SC)CC
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.345g/mol
Monoisotopic Mass:
220.059g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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