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88525-40-0 | Propanethioic acid, 2,2-dimethyl-, S-[5-(methylthio)pentyl] ester
CAS No: 88525-40-0 Catalog No: AG0048FF MDL No:
Product Description
Catalog Number:
AG0048FF
Chemical Name:
Propanethioic acid, 2,2-dimethyl-, S-[5-(methylthio)pentyl] ester
CAS Number:
88525-40-0
Molecular Formula:
C11H22OS2
Molecular Weight:
234.4218
IUPAC Name:
S-(5-methylsulfanylpentyl) 2,2-dimethylpropanethioate
InChI:
InChI=1S/C11H22OS2/c1-11(2,3)10(12)14-9-7-5-6-8-13-4/h5-9H2,1-4H3
InChI Key:
KRQSDIQQKSGRGS-UHFFFAOYSA-N
SMILES:
CSCCCCCSC(=O)C(C)(C)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.416g/mol
Monoisotopic Mass:
234.111g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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