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87170-66-9 | Thiourea, N-butyl-N'-tricyclo[3.3.1.13,7]dec-2-yl-
CAS No: 87170-66-9 Catalog No: AG004KDL MDL No:
Product Description
Catalog Number:
AG004KDL
Chemical Name:
Thiourea, N-butyl-N'-tricyclo[3.3.1.13,7]dec-2-yl-
CAS Number:
87170-66-9
Molecular Formula:
C15H26N2S
Molecular Weight:
266.4453
IUPAC Name:
1-(2-adamantyl)-3-butylthiourea
InChI:
InChI=1S/C15H26N2S/c1-2-3-4-16-15(18)17-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-14H,2-9H2,1H3,(H2,16,17,18)
InChI Key:
CNPDKAPHYUPYGX-UHFFFAOYSA-N
SMILES:
CCCCNC(=S)NC1C2CC3CC1CC(C2)C3
NSC Number:
314012
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.182g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.447g/mol
Monoisotopic Mass:
266.182g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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