Home Halogens 2-bromo-5-(methylsulfanyl)phenol

2-bromo-5-(methylsulfanyl)phenol

CAS No.:
1243397-23-0
Catalog Number:
AG01B81N
Molecular Formula:
C7H7BrOS
Molecular Weight:
219.0989
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Product Description
Catalog Number:
AG01B81N
Chemical Name:
2-bromo-5-(methylsulfanyl)phenol
CAS Number:
1243397-23-0
Molecular Formula:
C7H7BrOS
Molecular Weight:
219.0989
MDL Number:
MFCD16999029
IUPAC Name:
2-bromo-5-methylsulfanylphenol
InChI:
InChI=1S/C7H7BrOS/c1-10-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3
InChI Key:
JYOFHTQTECJPRV-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)O)Br
Properties
Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.94g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.096g/mol
Monoisotopic Mass:
217.94g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties