Chemical ID: 4736049

c1c(cnc(c1Cl)C(=S)N)C(F)(F)F
Chemical ID:
4736049
Name [?]:
3-chloro-5-(trifluoromethyl)pyridine-2-carbothioamide
SMILES [?]:
c1c(cnc(c1Cl)C(=S)N)C(F)(F)F
InChi [?]:
InChI=1/C7H4ClF3N2S/c8-4-1-3(7(9,10)11)2-13-5(4)6(12)14/h1-2H,(H2,12,14)
InChi Info:
AuxInfo=1/1/N:1,3,2,6,5,8,11,7,12,13,14,10,4,9/E:(9,10,11)/rA:14nCCCNCCClCSNCFFF/rB:s1;d2;s3;d4;d1s5;s6;s5;d8;s8;s2;s11;s11;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4ClF3N2S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.96387
Area:352.438
Solvation:-1.84708
Coulombic:-40.7812
Bond Count [?]
All:14
Single:10
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:240.634
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.86
LogP (Chemaxon):1.92

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Descriptor Annotations

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