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1215206-27-1 | 2(3H)-Benzothiazolethione, 6-bromo-4-(trifluoromethyl)-
CAS No: 1215206-27-1 Catalog No: AG001572 MDL No:MFCD15143580
Product Description
Catalog Number:
AG001572
Chemical Name:
2(3H)-Benzothiazolethione, 6-bromo-4-(trifluoromethyl)-
CAS Number:
1215206-27-1
Molecular Formula:
C8H3BrF3NS2
Molecular Weight:
314.1453
MDL Number:
MFCD15143580
IUPAC Name:
6-bromo-4-(trifluoromethyl)-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C8H3BrF3NS2/c9-3-1-4(8(10,11)12)6-5(2-3)15-7(14)13-6/h1-2H,(H,13,14)
InChI Key:
YHVSJNXHRWSYML-UHFFFAOYSA-N
SMILES:
Brc1cc2sc(=S)[nH]c2c(c1)C(F)(F)F
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.884g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.138g/mol
Monoisotopic Mass:
312.884g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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