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15153-13-6

15153-13-6 | Thiourea, N-hexyl-N'-phenyl-

CAS No: 15153-13-6 Catalog No: AG001NEL MDL No:MFCD00060425

Product Description

Catalog Number:
AG001NEL
Chemical Name:
Thiourea, N-hexyl-N'-phenyl-
CAS Number:
15153-13-6
Molecular Formula:
C13H20N2S
Molecular Weight:
236.3763
MDL Number:
MFCD00060425
IUPAC Name:
1-hexyl-3-phenylthiourea
InChI:
InChI=1S/C13H20N2S/c1-2-3-4-8-11-14-13(16)15-12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3,(H2,14,15,16)
InChI Key:
WSHZXAKBZYJLTH-UHFFFAOYSA-N
SMILES:
CCCCCCNC(=S)Nc1ccccc1
NSC Number:
105168

Properties

Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.135g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
236.377g/mol
Monoisotopic Mass:
236.135g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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