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Home Other Building Blocks 5-Fluoro-2(3h)-benzothiazolethione

5-Fluoro-2(3h)-benzothiazolethione

CAS No.:
155559-81-2
Catalog Number:
AG001NZZ
Molecular Formula:
C7H4FNS2
Molecular Weight:
185.2418
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$525
- +
25g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG001NZZ
Chemical Name:
5-Fluoro-2(3h)-benzothiazolethione
CAS Number:
155559-81-2
Molecular Formula:
C7H4FNS2
Molecular Weight:
185.2418
MDL Number:
MFCD02181177
IUPAC Name:
5-fluoro-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C7H4FNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChI Key:
JXMNNMYCHOHEDG-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)[nH]c(=S)s2
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.977g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.234g/mol
Monoisotopic Mass:
184.977g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Predicting the binding capability of benzothiazoline-2-thione and its derivatives with gold: a DFT and FT-Raman combined studies. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081215
Properties