Home Halogens methyl 2-bromo-2-(methylsulfanyl)acetate

methyl 2-bromo-2-(methylsulfanyl)acetate

CAS No.:
77825-52-6
Catalog Number:
AG01ALUT
Molecular Formula:
C4H7BrO2S
Molecular Weight:
199.0662
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Product Description
Catalog Number:
AG01ALUT
Chemical Name:
methyl 2-bromo-2-(methylsulfanyl)acetate
CAS Number:
77825-52-6
Molecular Formula:
C4H7BrO2S
Molecular Weight:
199.0662
MDL Number:
MFCD20626821
IUPAC Name:
methyl 2-bromo-2-methylsulfanylacetate
InChI:
InChI=1S/C4H7BrO2S/c1-7-4(6)3(5)8-2/h3H,1-2H3
InChI Key:
QIZYHQCOQQDRDR-UHFFFAOYSA-N
SMILES:
CSC(C(=O)OC)Br
Properties
Complexity:
86.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.935g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.062g/mol
Monoisotopic Mass:
197.935g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties