Home Other Building Blocks 4-(2-methoxyphenoxy)benzene-1-carbothioamide

4-(2-methoxyphenoxy)benzene-1-carbothioamide

CAS No.:
938364-43-3
Catalog Number:
AG01AI6J
Molecular Formula:
C14H13NO2S
Molecular Weight:
259.3235
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Product Description
Catalog Number:
AG01AI6J
Chemical Name:
4-(2-methoxyphenoxy)benzene-1-carbothioamide
CAS Number:
938364-43-3
Molecular Formula:
C14H13NO2S
Molecular Weight:
259.3235
MDL Number:
MFCD09713890
IUPAC Name:
4-(2-methoxyphenoxy)benzenecarbothioamide
InChI:
InChI=1S/C14H13NO2S/c1-16-12-4-2-3-5-13(12)17-11-8-6-10(7-9-11)14(15)18/h2-9H,1H3,(H2,15,18)
InChI Key:
XSCNACOAZUKIPV-UHFFFAOYSA-N
SMILES:
COc1ccccc1Oc1ccc(cc1)C(=S)N
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.067g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.323g/mol
Monoisotopic Mass:
259.067g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties