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114393-77-0 | Acetic acid, 2-[(1-thioxoethyl)thio]-, ethyl ester
CAS No: 114393-77-0 Catalog No: AG000B8G MDL No:
Product Description
Catalog Number:
AG000B8G
Chemical Name:
Acetic acid, 2-[(1-thioxoethyl)thio]-, ethyl ester
CAS Number:
114393-77-0
Molecular Formula:
C6H10O2S2
Molecular Weight:
178.2724
IUPAC Name:
ethyl 2-ethanethioylsulfanylacetate
InChI:
InChI=1S/C6H10O2S2/c1-3-8-6(7)4-10-5(2)9/h3-4H2,1-2H3
InChI Key:
OEBAUBJJYHXAHH-UHFFFAOYSA-N
SMILES:
CCOC(=O)CSC(=S)C
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.012g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.264g/mol
Monoisotopic Mass:
178.012g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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