Home Amines 1179362-69-6
1179362-69-6,MFCD12547617
Catalog No.:AA003IP6
1179362-69-6 | 3-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,2,4-thiadiazol-5-amine
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1g
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Technical Information
Catalog Number:
AA003IP6
Chemical Name:
3-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,2,4-thiadiazol-5-amine
CAS Number:
1179362-69-6
Molecular Formula:
C8H4ClF3N4S
Molecular Weight:
280.6574
MDL Number:
MFCD12547617
IUPAC Name:
3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2,4-thiadiazol-5-amine
InChI:
InChI=1S/C8H4ClF3N4S/c9-4-1-3(8(10,11)12)2-14-5(4)6-15-7(13)17-16-6/h1-2H,(H2,13,15,16)
InChI Key:
VPFAQVZCBAMOQI-UHFFFAOYSA-N
SMILES:
Nc1snc(n1)c1ncc(cc1Cl)C(F)(F)F
Properties
Computed Properties
 
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.98g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
280.653g/mol
Monoisotopic Mass:
279.98g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
1179362-69-6 
3-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-1,2,4-thiadiazol-5-amine 
MFCD12547617 
ZINC67173845 
AKOS015854839 
ACN-030012 
RP29846 
RTC-067899 
TRA0082458 
AK159999 
AJ-116881 
AX8293225 
3-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine 
DB-061213 
TC-067899 
4CH-000423 
CS-0060273 
FT-0754262 
W-3965 
J-511466 
A1-01890 
3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2,4-thiadiazol-5-amine 
ACMC-20e2rp 
SCHEMBL20422814 
CTK4B0513 
DTXSID10676654 
KS-000000WJ 
Literature
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