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S-(4-Bromobutyl) thioacetate

Catalog Number
ACM14475593
CAS Number
14475-59-3
Product Name
S-(4-Bromobutyl) thioacetate
Category
Self-Assembly Materials
IUPAC Name
S-(4-bromobutyl) ethanethioate
Molecular Weight
211.12g/mol
Molecular Formula
C6H11BrOS
Canonical SMILES
CC(=O)SCCCCBr
InChI
InChI=1S/C6H11BrOS/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3
InChI Key
ABARMQVSPZAYRI-UHFFFAOYSA-N
Complexity
85.1
Covalently-Bonded Unit Count
1
Exact Mass
209.9714g/mol
Formal Charge
0
Heavy Atom Count
9
Monoisotopic Mass
209.9714g/mol
Rotatable Bond Count
5
XLogP3
2.1
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