Home Other Building Blocks 4-(4-Phenoxyphenyl)-3-thiosemicarbazide

4-(4-Phenoxyphenyl)-3-thiosemicarbazide

CAS No.:
206761-85-5
Catalog Number:
AG002IOI
Molecular Formula:
C13H13N3OS
Molecular Weight:
259.3268
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$75
- +
5g
95%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG002IOI
Chemical Name:
4-(4-Phenoxyphenyl)-3-thiosemicarbazide
CAS Number:
206761-85-5
Molecular Formula:
C13H13N3OS
Molecular Weight:
259.3268
MDL Number:
MFCD00041299
IUPAC Name:
1-amino-3-(4-phenoxyphenyl)thiourea
InChI:
InChI=1S/C13H13N3OS/c14-16-13(18)15-10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h1-9H,14H2,(H2,15,16,18)
InChI Key:
KIHDOYIABVFNJO-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1ccc(cc1)Oc1ccccc1
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.078g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
259.327g/mol
Monoisotopic Mass:
259.078g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties