Home Other Building Blocks 3-phenoxybenzene-1-carbothioamide

3-phenoxybenzene-1-carbothioamide

CAS No.:
730971-69-4
Catalog Number:
AG019JDY
Molecular Formula:
C13H11NOS
Molecular Weight:
229.2975
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Product Description
Catalog Number:
AG019JDY
Chemical Name:
3-phenoxybenzene-1-carbothioamide
CAS Number:
730971-69-4
Molecular Formula:
C13H11NOS
Molecular Weight:
229.2975
MDL Number:
MFCD04973320
IUPAC Name:
3-phenoxybenzenecarbothioamide
InChI:
InChI=1S/C13H11NOS/c14-13(16)10-5-4-8-12(9-10)15-11-6-2-1-3-7-11/h1-9H,(H2,14,16)
InChI Key:
QJBRRYKDCBBKTC-UHFFFAOYSA-N
SMILES:
NC(=S)c1cccc(c1)Oc1ccccc1
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.056g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.297g/mol
Monoisotopic Mass:
229.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties