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adamantan-1-ylthiourea

adamantan-1-ylthiourea

CAS: 25444-82-0

Formula: C11H18N2S

SMILES: NC(=S)NC12CC3CC(CC(C3)C1)C2

IUPAC: (adamantan-1-yl)thiourea

InChI: InChI=1S/C11H18N2S/c12-10(14)13-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13,14)

Composition: C (62.81%), H (8.63%), N (13.32%), S (15.24%)

Molar Mass: 210.34

Atom Count: 32

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 210.119069762
Formal Charge 0
FSP3 0.91
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 2
InChIKey LRWQENBAFMBIJR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.65
Topological Polar Surface Area 38.05
Polarizability 24.52
Ring Count 3
Rotatable Bond Count 1

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