Home Aminos Dodecyl N-{[4-(phenylamino)phenyl] carbamothioyl}carbamate

Dodecyl N-{[4-(phenylamino)phenyl] carbamothioyl}carbamate

CAS No.:
148204-52-8
Catalog Number:
AG01F74F
Molecular Formula:
C26H37N3O2S
Molecular Weight:
455.6559
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
50mg
90%
1 week
United States
$260
- +
250mg
90%
1 week
United States
$482
- +
Product Description
Catalog Number:
AG01F74F
Chemical Name:
Dodecyl N-{[4-(phenylamino)phenyl] carbamothioyl}carbamate
CAS Number:
148204-52-8
Molecular Formula:
C26H37N3O2S
Molecular Weight:
455.6559
MDL Number:
MFCD00962726
IUPAC Name:
dodecyl N-[(4-anilinophenyl)carbamothioyl]carbamate
InChI:
InChI=1S/C26H37N3O2S/c1-2-3-4-5-6-7-8-9-10-14-21-31-26(30)29-25(32)28-24-19-17-23(18-20-24)27-22-15-12-11-13-16-22/h11-13,15-20,27H,2-10,14,21H2,1H3,(H2,28,29,30,32)
InChI Key:
IYAUFIDLAQFQIP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOC(=O)NC(=S)Nc1ccc(cc1)Nc1ccccc1
Properties
Complexity:
503  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.261g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
455.661g/mol
Monoisotopic Mass:
455.261g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4  
Properties