Home Aminos 3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea

3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea

CAS No.:
77006-71-4
Catalog Number:
AG01EXCJ
Molecular Formula:
C20H34N4S2
Molecular Weight:
394.6408
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
96%
1 week
United States
$287
- +
Product Description
Catalog Number:
AG01EXCJ
Chemical Name:
3-Hexyl-1-{4-[(hexylcarbamothioyl)amino]phenyl}thiourea
CAS Number:
77006-71-4
Molecular Formula:
C20H34N4S2
Molecular Weight:
394.6408
MDL Number:
MFCD00962335
IUPAC Name:
1-hexyl-3-[4-(hexylcarbamothioylamino)phenyl]thiourea
InChI:
InChI=1S/C20H34N4S2/c1-3-5-7-9-15-21-19(25)23-17-11-13-18(14-12-17)24-20(26)22-16-10-8-6-4-2/h11-14H,3-10,15-16H2,1-2H3,(H2,21,23,25)(H2,22,24,26)
InChI Key:
QOVPUNUVDWHBMJ-UHFFFAOYSA-N
SMILES:
CCCCCCNC(=S)Nc1ccc(cc1)NC(=S)NCCCCCC
Properties
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.222g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
394.64g/mol
Monoisotopic Mass:
394.222g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8  
Properties