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113869-67-3 | Ethanethioic acid, S-(7-methoxy-3,7-dimethyloctyl) ester
CAS No: 113869-67-3 Catalog No: AG0009Z9 MDL No:
Product Description
Catalog Number:
AG0009Z9
Chemical Name:
Ethanethioic acid, S-(7-methoxy-3,7-dimethyloctyl) ester
CAS Number:
113869-67-3
Molecular Formula:
C13H26O2S
Molecular Weight:
246.4093
IUPAC Name:
S-(7-methoxy-3,7-dimethyloctyl) ethanethioate
InChI:
InChI=1S/C13H26O2S/c1-11(8-10-16-12(2)14)7-6-9-13(3,4)15-5/h11H,6-10H2,1-5H3
InChI Key:
VZIIWJZHHTUFLI-UHFFFAOYSA-N
SMILES:
COC(CCCC(CCSC(=O)C)C)(C)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.165g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.409g/mol
Monoisotopic Mass:
246.165g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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