s-(11-Bromoundecyl)thioacetate

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Catalog Number
ACM947150461
Product Name
s-(11-Bromoundecyl)thioacetate
Structure
Structure
CAS
947150-46-1
Category
Biomaterials
Synonyms
S-(11-BroMoundecyl) thioacetate;Thioacetic acid S-(11-bromoundecyl) ester
IUPAC Name
S-(11-bromoundecyl) ethanethioate
Molecular Weight
309.31g/mol
Molecular Formula
C13H25BrOS
Canonical SMILES
CC(=O)SCCCCCCCCCCCBr
InChI
InChI=1S/C13H25BrOS/c1-13(15)16-12-10-8-6-4-2-3-5-7-9-11-14/h2-12H2,1H3
InChI Key
JEDBIVNXPYJQIU-UHFFFAOYSA-N
Complexity
162
Covalently-Bonded Unit Count
1
Exact Mass
308.08095g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
0
Heavy Atom Count
16
Monoisotopic Mass
308.08095g/mol
Rotatable Bond Count
12
XLogP3
5.6
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