Home Other Building Blocks 1-(Biphenyl-4-yl)-3-hexylthiourea

1-(Biphenyl-4-yl)-3-hexylthiourea

CAS No.:
1415559-64-6
Catalog Number:
AG01D8T2
Molecular Formula:
C19H24N2S
Molecular Weight:
312.4723
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Product Description
Catalog Number:
AG01D8T2
Chemical Name:
1-(Biphenyl-4-yl)-3-hexylthiourea
CAS Number:
1415559-64-6
Molecular Formula:
C19H24N2S
Molecular Weight:
312.4723
MDL Number:
MFCD18642787
IUPAC Name:
1-hexyl-3-(4-phenylphenyl)thiourea
InChI:
InChI=1S/C19H24N2S/c1-2-3-4-8-15-20-19(22)21-18-13-11-17(12-14-18)16-9-6-5-7-10-16/h5-7,9-14H,2-4,8,15H2,1H3,(H2,20,21,22)
InChI Key:
JUEVILYSIWXGEZ-UHFFFAOYSA-N
SMILES:
CCCCCCNC(=S)Nc1ccc(cc1)c1ccccc1
Properties
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.166g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
312.475g/mol
Monoisotopic Mass:
312.166g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  
Properties