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21071-28-3

21071-28-3 | Thiourea, N,N'-dihexyl-

CAS No: 21071-28-3 Catalog No: AG002KYF MDL No:MFCD00014468

Product Description

Catalog Number:
AG002KYF
Chemical Name:
Thiourea, N,N'-dihexyl-
CAS Number:
21071-28-3
Molecular Formula:
C13H28N2S
Molecular Weight:
244.4398
MDL Number:
MFCD00014468
IUPAC Name:
1,3-dihexylthiourea
InChI:
InChI=1S/C13H28N2S/c1-3-5-7-9-11-14-13(16)15-12-10-8-6-4-2/h3-12H2,1-2H3,(H2,14,15,16)
InChI Key:
CYYJFWJNIQDCLT-UHFFFAOYSA-N
SMILES:
CCCCCCNC(=S)NCCCCCC
EC Number:
244-191-0

Properties

Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.197g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
244.441g/mol
Monoisotopic Mass:
244.197g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  

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