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Home > Other Heterocycles > 832098-98-3
832098-98-3 | Thiourea, [4-(4-hexylbicyclo[2.2.2]oct-1-yl)phenyl]-
CAS No: 832098-98-3 Catalog No: AG004ZYH MDL No:
Product Description
Catalog Number:
AG004ZYH
Chemical Name:
Thiourea, [4-(4-hexylbicyclo[2.2.2]oct-1-yl)phenyl]-
CAS Number:
832098-98-3
Molecular Formula:
C21H32N2S
Molecular Weight:
344.5572
IUPAC Name:
[4-(4-hexyl-1-bicyclo[2.2.2]octanyl)phenyl]thiourea
InChI:
InChI=1S/C21H32N2S/c1-2-3-4-5-10-20-11-14-21(15-12-20,16-13-20)17-6-8-18(9-7-17)23-19(22)24/h6-9H,2-5,10-16H2,1H3,(H3,22,23,24)
InChI Key:
WDYVKHFNNWBDLV-UHFFFAOYSA-N
SMILES:
CCCCCCC12CCC(CC1)(CC2)c1ccc(cc1)NC(=S)N
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.229g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.561g/mol
Monoisotopic Mass:
344.229g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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