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14395-57-4

14395-57-4 | 2-Bromo-4,6-dimethylbenzenethiol

CAS No: 14395-57-4 Catalog No: AG01FEP5 MDL No:MFCD12026175

Product Description

Catalog Number:
AG01FEP5
Chemical Name:
2-Bromo-4,6-dimethylbenzenethiol
CAS Number:
14395-57-4
Molecular Formula:
C8H9BrS
Molecular Weight:
217.1261
MDL Number:
MFCD12026175
IUPAC Name:
2-bromo-4,6-dimethylbenzenethiol
InChI:
InChI=1S/C8H9BrS/c1-5-3-6(2)8(10)7(9)4-5/h3-4,10H,1-2H3
InChI Key:
WVIWIHOYUHZRLD-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)Br)S

Properties

Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.961g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.124g/mol
Monoisotopic Mass:
215.961g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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