Home Other Building Blocks 1-(4-Phenoxyphenyl)thiourea

1-(4-Phenoxyphenyl)thiourea

CAS No.:
76839-21-9
Catalog Number:
AG003SDB
Molecular Formula:
C13H12N2OS
Molecular Weight:
244.3122
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
In Stock USA
United States
$165
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Product Description
Catalog Number:
AG003SDB
Chemical Name:
1-(4-Phenoxyphenyl)thiourea
CAS Number:
76839-21-9
Molecular Formula:
C13H12N2OS
Molecular Weight:
244.3122
MDL Number:
MFCD00041185
IUPAC Name:
(4-phenoxyphenyl)thiourea
InChI:
InChI=1S/C13H12N2OS/c14-13(17)15-10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H3,14,15,17)
InChI Key:
SSZWMEWZRURHTK-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccc(cc1)Oc1ccccc1
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.067g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
244.312g/mol
Monoisotopic Mass:
244.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties