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Home > Bromides > 1349715-71-4
1349715-71-4 | 2-Bromo-5-(methylthio)benzenethiol
CAS No: 1349715-71-4 Catalog No: AG01FE4Z MDL No:MFCD20233182
Product Description
Catalog Number:
AG01FE4Z
Chemical Name:
2-Bromo-5-(methylthio)benzenethiol
CAS Number:
1349715-71-4
Molecular Formula:
C7H7BrS2
Molecular Weight:
235.1645
MDL Number:
MFCD20233182
IUPAC Name:
2-bromo-5-methylsulfanylbenzenethiol
InChI:
InChI=1S/C7H7BrS2/c1-10-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3
InChI Key:
HVRVHDGYYZDEQW-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)S)Br
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.917g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.157g/mol
Monoisotopic Mass:
233.917g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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