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89472-49-1 | Ethane, 1,1,1-triethoxy-2-(methylthio)-
CAS No: 89472-49-1 Catalog No: AG004271 MDL No:
Product Description
Catalog Number:
AG004271
Chemical Name:
Ethane, 1,1,1-triethoxy-2-(methylthio)-
CAS Number:
89472-49-1
Molecular Formula:
C9H20O3S
Molecular Weight:
208.3183
IUPAC Name:
1,1,1-triethoxy-2-methylsulfanylethane
InChI:
InChI=1S/C9H20O3S/c1-5-10-9(8-13-4,11-6-2)12-7-3/h5-8H2,1-4H3
InChI Key:
QCVIRKOTWYMVJE-UHFFFAOYSA-N
SMILES:
CSCC(OCC)(OCC)OCC
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.113g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.316g/mol
Monoisotopic Mass:
208.113g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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