Home Other Building Blocks 1-Benzoyl-3-(4-cyanophenyl)thiourea

1-Benzoyl-3-(4-cyanophenyl)thiourea

CAS No.:
1448-64-2
Catalog Number:
AG00AQI5
Molecular Formula:
C15H11N3OS
Molecular Weight:
281.3323
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$62
- +
25g
95%
In Stock USA
United States
$188
- +
100g
95%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG00AQI5
Chemical Name:
1-Benzoyl-3-(4-cyanophenyl)thiourea
CAS Number:
1448-64-2
Molecular Formula:
C15H11N3OS
Molecular Weight:
281.3323
MDL Number:
MFCD00587941
IUPAC Name:
N-[(4-cyanophenyl)carbamothioyl]benzamide
InChI:
InChI=1S/C15H11N3OS/c16-10-11-6-8-13(9-7-11)17-15(20)18-14(19)12-4-2-1-3-5-12/h1-9H,(H2,17,18,19,20)
InChI Key:
FEECPKRZFPEEEU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)NC(=S)NC(=O)c1ccccc1
Properties
Complexity:
401  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.062g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
281.333g/mol
Monoisotopic Mass:
281.062g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties