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Home Halogens Thiourea, N-[4-chloro-3-(trifluoromethyl)phenyl]-

Thiourea, N-[4-chloro-3-(trifluoromethyl)phenyl]-

CAS No.:
207919-03-7
Catalog Number:
AG002JCG
Molecular Formula:
C8H6ClF3N2S
Molecular Weight:
254.6598
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Product Description
Catalog Number:
AG002JCG
Chemical Name:
Thiourea, N-[4-chloro-3-(trifluoromethyl)phenyl]-
CAS Number:
207919-03-7
Molecular Formula:
C8H6ClF3N2S
Molecular Weight:
254.6598
MDL Number:
MFCD00041182
IUPAC Name:
[4-chloro-3-(trifluoromethyl)phenyl]thiourea
InChI:
InChI=1S/C8H6ClF3N2S/c9-6-2-1-4(14-7(13)15)3-5(6)8(10,11)12/h1-3H,(H3,13,14,15)
InChI Key:
FVOYDWBFLHIQSS-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccc(c(c1)C(F)(F)F)Cl
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.989g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
254.655g/mol
Monoisotopic Mass:
253.989g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Rational design of 5'-thiourea-substituted alpha-thymidine analogues as thymidine monophosphate kinase inhibitors capable of inhibiting mycobacterial growth. Journal of medicinal chemistry 20071101
Properties