Home Fluorides 76041-72-0
76041-72-0,MFCD00128893
Catalog No.:AA003HFB
76041-72-0 | 5-(Trifluoromethyl)pyridine-2(1H)-thione
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HFB
Chemical Name:
5-(Trifluoromethyl)pyridine-2(1H)-thione
CAS Number:
76041-72-0
Molecular Formula:
C6H4F3NS
Molecular Weight:
179.1629
MDL Number:
MFCD00128893
IUPAC Name:
5-(trifluoromethyl)-1H-pyridine-2-thione
InChI:
InChI=1S/C6H4F3NS/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)
InChI Key:
YFSCXLSUZZXNHW-UHFFFAOYSA-N
SMILES:
S=c1ccc(c[nH]1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.002g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.16g/mol
Monoisotopic Mass:
179.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
76041-72-0 
2-Mercapto-5-(trifluoromethyl)pyridine 
5-(trifluoromethyl)pyridin-2-thiol 
5-(Trifluoromethyl)-2-mercaptopyridine 
PubChem9311 
AC1Q4JEX 
AC1Q4JFJ 
ACMC-1BL8B 
AC1MCQ38 
KSC496E7N 
SCHEMBL596858 
CTK3J6276 
5-(Trifluoromethyl)pyridine-2(1H)-thione 
ZINC77861 
DTXSID60226946 
YFSCXLSUZZXNHW-UHFFFAOYSA-N 
5-trifluoromethylpyridine-2-thione 
HMS1751I21 
5-(trifluoromethyl)-2-thiopyridine 
KS-000001ZO 
1827AC 
ANW-74667 
BBL100649 
5-(trifluoromethyl)pyridine-2-thiol 
MFCD00128893 
SBB062700 
STL554443 
AKOS000122972 
AKOS016008681 
AB03617 
AF10098 
AN-2141 
CS-W017281 
FS-1129 
2-mercapto-5-trifluoromethylpyridine 
LS20259 
MCULE-9810214583 
RL04898 
RTC-010984 
VP10491 
NCGC00323286-01 
5-TRIFLUOROMETHYL-2-THIO-PYRIDONE 
AC-24901 
AK-36311 
SC-06664 
2(1H)-Pyridinethione, 5-(trifluoromethyl)- 
5-(Trifluoromethyl)pyridine-2-thiol, 97% 
AB1007005 
DB-003984 
ST2418594 
TC-010984 
5-(TRIFLUOROMETHYL)PYRIDINE-2-THIONE 
A9649 
FT-0612745 
M2299 
ST51041535 
5-(Trifluoromethyl)-2-pyridinethiol 
EN300-12420 
S-8170 
AB01107795-03 
3S105779 
I09-0713 
J-509769 
C6H4F3NS 
CID2775246 
AI3-36695 
5-(Trifluoromethyl)-2(1H)-pyridinethione 
5-(trifluoromethyl)-1H-pyridine-2-thione 
5-trifluoromethyl-pyridine-2-thiol 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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