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102753-69-5 | Thiourea, N,N'-bis[4-(pentyloxy)phenyl]-
CAS No: 102753-69-5 Catalog No: AG0008B3 MDL No:
Product Description
Catalog Number:
AG0008B3
Chemical Name:
Thiourea, N,N'-bis[4-(pentyloxy)phenyl]-
CAS Number:
102753-69-5
Molecular Formula:
C23H32N2O2S
Molecular Weight:
400.5774
IUPAC Name:
1,3-bis(4-pentoxyphenyl)thiourea
InChI:
InChI=1S/C23H32N2O2S/c1-3-5-7-17-26-21-13-9-19(10-14-21)24-23(28)25-20-11-15-22(16-12-20)27-18-8-6-4-2/h9-16H,3-8,17-18H2,1-2H3,(H2,24,25,28)
InChI Key:
WUVOFFXQCSUATQ-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)NC(=S)Nc1ccc(cc1)OCCCCC
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.218g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
400.581g/mol
Monoisotopic Mass:
400.218g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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