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210686-25-2 | Ethanethioic acid, S-(8-bromooctyl) ester
CAS No: 210686-25-2 Catalog No: AG002KWO MDL No:
Product Description
Catalog Number:
AG002KWO
Chemical Name:
Ethanethioic acid, S-(8-bromooctyl) ester
CAS Number:
210686-25-2
Molecular Formula:
C10H19BrOS
Molecular Weight:
267.2263
IUPAC Name:
S-(8-bromooctyl) ethanethioate
InChI:
InChI=1S/C10H19BrOS/c1-10(12)13-9-7-5-3-2-4-6-8-11/h2-9H2,1H3
InChI Key:
MFBDRINSWYDMDX-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCSC(=O)C
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.034g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.225g/mol
Monoisotopic Mass:
266.034g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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