Home Halogens 1-[(2-bromoethyl)sulfanyl]ethan-1-one

1-[(2-bromoethyl)sulfanyl]ethan-1-one

CAS No.:
927-70-8
Catalog Number:
AG01C1U1
Molecular Formula:
C4H7BrOS
Molecular Weight:
183.0668
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Product Description
Catalog Number:
AG01C1U1
Chemical Name:
1-[(2-bromoethyl)sulfanyl]ethan-1-one
CAS Number:
927-70-8
Molecular Formula:
C4H7BrOS
Molecular Weight:
183.0668
MDL Number:
MFCD03005229
IUPAC Name:
S-(2-bromoethyl) ethanethioate
InChI:
InChI=1S/C4H7BrOS/c1-4(6)7-3-2-5/h2-3H2,1H3
InChI Key:
NYHLAZJBJZRGPV-UHFFFAOYSA-N
SMILES:
CC(=O)SCCBr
Properties
Complexity:
64.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.94g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.063g/mol
Monoisotopic Mass:
181.94g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties