Home Halogens 1-[(bromomethyl)sulfanyl]ethan-1-one

1-[(bromomethyl)sulfanyl]ethan-1-one

CAS No.:
54820-26-7
Catalog Number:
AG01BHUL
Molecular Formula:
C3H5BrOS
Molecular Weight:
169.0402
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Product Description
Catalog Number:
AG01BHUL
Chemical Name:
1-[(bromomethyl)sulfanyl]ethan-1-one
CAS Number:
54820-26-7
Molecular Formula:
C3H5BrOS
Molecular Weight:
169.0402
MDL Number:
MFCD20621467
IUPAC Name:
S-(bromomethyl) ethanethioate
InChI:
InChI=1S/C3H5BrOS/c1-3(5)6-2-4/h2H2,1H3
InChI Key:
RLEILGCPRGJZND-UHFFFAOYSA-N
SMILES:
CC(=O)SCBr
Properties
Complexity:
54.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.924g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.036g/mol
Monoisotopic Mass:
167.924g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties