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Home > Fluorides > 155559-81-2
155559-81-2 | 2(3H)-Benzothiazolethione, 5-fluoro-
CAS No: 155559-81-2 Catalog No: AG001NZZ MDL No:MFCD18384916
Product Description
Catalog Number:
AG001NZZ
Chemical Name:
2(3H)-Benzothiazolethione, 5-fluoro-
CAS Number:
155559-81-2
Molecular Formula:
C7H4FNS2
Molecular Weight:
185.2418
MDL Number:
MFCD18384916
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 |
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