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Home > Fluorides > 786657-48-5
786657-48-5 | 2(3H)-Benzothiazolethione, 5,6-difluoro-
CAS No: 786657-48-5 Catalog No: AG005K0D MDL No:MFCD26132264
Product Description
Catalog Number:
AG005K0D
Chemical Name:
2(3H)-Benzothiazolethione, 5,6-difluoro-
CAS Number:
786657-48-5
Molecular Formula:
C7H3F2NS2
Molecular Weight:
203.2322
MDL Number:
MFCD26132264
IUPAC Name:
5,6-difluoro-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C7H3F2NS2/c8-3-1-5-6(2-4(3)9)12-7(11)10-5/h1-2H,(H,10,11)
InChI Key:
OGBDLZKYOMVRGZ-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2c(s1)cc(c(c2)F)F
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.967g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.225g/mol
Monoisotopic Mass:
202.967g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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