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161405-99-8 | Thiophene, 2,5-dibromo-3-(butylthio)-
CAS No: 161405-99-8 Catalog No: AG001SFL MDL No:
Product Description
Catalog Number:
AG001SFL
Chemical Name:
Thiophene, 2,5-dibromo-3-(butylthio)-
CAS Number:
161405-99-8
Molecular Formula:
C8H10Br2S2
Molecular Weight:
330.1030
IUPAC Name:
2,5-dibromo-3-butylsulfanylthiophene
InChI:
InChI=1S/C8H10Br2S2/c1-2-3-4-11-6-5-7(9)12-8(6)10/h5H,2-4H2,1H3
InChI Key:
WDVPDMTVKNPUKH-UHFFFAOYSA-N
SMILES:
CCCCSc1cc(sc1Br)Br
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.857g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.096g/mol
Monoisotopic Mass:
327.859g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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