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Home > Bromides > 1215206-47-5
1215206-47-5 | 2(3H)-Benzothiazolethione, 4-bromo-6-(trifluoromethoxy)-
CAS No: 1215206-47-5 Catalog No: AG00157W MDL No:MFCD13195780
Product Description
Catalog Number:
AG00157W
Chemical Name:
2(3H)-Benzothiazolethione, 4-bromo-6-(trifluoromethoxy)-
CAS Number:
1215206-47-5
Molecular Formula:
C8H3BrF3NOS2
Molecular Weight:
330.1447
MDL Number:
MFCD13195780
IUPAC Name:
4-bromo-6-(trifluoromethoxy)-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C8H3BrF3NOS2/c9-4-1-3(14-8(10,11)12)2-5-6(4)13-7(15)16-5/h1-2H,(H,13,15)
InChI Key:
JQMOBYLYYWNJBN-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2c(s1)cc(cc2Br)OC(F)(F)F
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.879g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.137g/mol
Monoisotopic Mass:
328.879g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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